SCHEMBL7447987

SCHEMBL7447987

Cc1ccc2c(c1)ncn2-c1cccc(C(=O)N2CCSCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 20/20 0.69
ALDH1A1 P00352 3/20 0.67
NPC1 O15118 1/20 0.67
GLA P06280 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7449598 0.87 HPGD (0.84) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL7503886 0.86 HPGD (0.70) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23680648 0.81 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL22777191 0.81 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL29480994 0.81 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5900762 0.81 FGFR1 (0.68) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23680651 0.77 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL14008299 0.76 HPGD (0.71) HPGDALDH1A1
SCHEMBL23680650 0.75 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2653778 0.75 HPGD (0.58) HPGDALDH1A1NPC1GLARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968191-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-01-05 EP claimed
WO-1998034923-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-08-13 WO claimed
US-6071909-A Phenylbenzimidazole derivatives as ligands for GABA receptors MERCK SHARPE & DOHME LTD. (GB) 2000-06-06 US disclosed
EP-0968191-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-01-05 EP disclosed
WO-1998034923-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-08-13 WO disclosed