SCHEMBL7796362

SCHEMBL7796362

COc1ccc2nc(C(=O)SCCCCCSC(=O)c3nc4ccc(OC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.57
CYP1A2 P05177 11/20 0.55
CYP2E1 P05181 11/20 0.55
CYP2C8 P10632 11/20 0.55
CYP2D6 P10635 11/20 0.55
CYP2C9 P11712 11/20 0.55
CYP2B6 P20813 11/20 0.55
CYP2C19 P33261 11/20 0.55
CYP3A4 P08684 10/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALPL P05186 1/20 0.48
ALPG P10696 1/20 0.48
GCGR P47871 1/20 0.48
MAPT P10636 2/20 0.47
CLK1 P49759 1/20 0.47
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL7796360 0.90 EGLN1 (0.46) EGLN1CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL7792323 0.83 PIN1 (0.61) CYP1A2NPC1RAB9AMAPTMEN1
SCHEMBL7794740 0.81 HRH4 (0.52) RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL7794721 0.80 HRH4 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL7795735 0.79 PKN1 (0.55) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL17742733 0.78 EGLN1 (0.64) EGLN1CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL4806950 0.78 EGLN1 (0.67) EGLN1CYP1A2CYP2E1CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL7792335 0.78 PKN1 (0.54) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL7794715 0.78 HSD17B10 (0.44) EGLN1NPC1RAB9AMAPTKDM4E
SCHEMBL7796289 0.78 PIN1 (0.64) MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed