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Table 4 Similar structures obtained by similarity search through PubChem database (Tanimoto threshold ≥ 90%)

From: An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular dynamics and molecular docking study

Structure (PubChem CID) Target gene (Uniprot ID) Organism Activity (µM) BioAssay AID
1103113 SRC (P12931) Homo sapiens 1.3 485313
2873325 NS3 Helicase (P29846) Hepatitis C Virus Active 720488
1405531 Grm8 (P70579) Rattus norvegicus Active 488969
2363161 SRC (P12931) Homo sapiens 0.9 317425
2363161 ABL1 (P00519) Homo sapiens 0.406 317426
2192320 SRC (P12931) Homo sapiens 0.718 317425
2192320 ABL1 (P00519) Homo sapiens 0.272 317426
4380426 NPC1 (O15118) Homo sapiens 3.1623 485313
4380426 RAB9A (P51151) Homo sapiens 3.9811 485297
4380426 Smarca4 (Q3TKT4) Mus musculus Active 602393
4380426 MDM4 (O15151) Homo sapiens Active 485346
4380426 MDM2 (Q00987) Homo sapiens Active 485346
3787336 PTBP1 (P26599) Homo sapiens Active 2417
3787336 Cysteine protease (A6XG55) Trypanosoma cruzi 25.1189 1476
878365 SENP6 (Q9GZR1) Homo sapiens Active 2599
878365 SENP7 (Q9BQF6) Homo sapiens 16.8 488904
878365 CASP3 (P42574) Homo sapiens 18.9 488901
3669135 Rorc (P51450) Mus musculus 17.7828 2551
3669135 SENP7 (Q9BQF6) Homo sapiens Active 434973
3669135 PAFAH1B2 (P68402) Homo sapiens Active 492953
3669135 MC4R (P32245) Homo sapiens Active 540308
753766 FAK1 (Q05397) Homo sapiens 11.87 657571
4420955 FAK1 (Q05397) Homo sapiens 12.68 657571