SCHEMBL7796360

SCHEMBL7796360

COc1ccc2[nH]c(C(=O)SCCCCCSC(=O)c3nc4cc(OC)ccc4[nH]3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
CYP1A2 P05177 9/20 0.44
CYP2C19 P33261 9/20 0.44
CYP2E1 P05181 8/20 0.44
CYP2C8 P10632 8/20 0.44
CYP2D6 P10635 8/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2B6 P20813 8/20 0.44
CYP3A4 P08684 7/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7796362 0.90 EGLN1 (0.57) EGLN1CYP1A2CYP2C19CYP2E1CYP2C8
SCHEMBL7792319 0.83 PIN1 (0.47) CYP1A2CYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL7794739 0.81 HRH4 (0.41) EGLN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27989553 0.80 PDGFRB (0.54) EGLN1CYP1A2CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL7794719 0.80 HRH4 (0.40) EGLN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7795733 0.79 HCRTR1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL4826512 0.78 EGLN1 (0.53) EGLN1CYP1A2CYP2C19CYP2E1CYP2C8
SCHEMBL5952797 0.78 MEN1 (0.50) EGLN1CYP1A2CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL7792330 0.78 HCRTR1 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL5952886 0.78 EGLN1 (0.50) EGLN1CYP1A2CYP2C19CYP2E1CYP2C8

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