SCHEMBL9828070

SCHEMBL9828070

Sc1nc2ccc(OCC3CC3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.47
CYP2C9 P11712 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2E1 P05181 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR3A P46098 2/20 0.43
KCNH2 Q12809 2/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC6A3 Q01959 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL9828063 0.89 SLC6A2 (0.43) CHEK2CYP2C9SLC6A2SLC6A4HTR3A
SCHEMBL20376278 0.80 MEN1 (0.55) CHEK2CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL21325041 0.80 CYP2C9 (0.49) CHEK2CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL917239 0.79 NPC1 (0.61) CHEK2CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL17292671 0.78 NPC1 (0.59) CHEK2CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL16134548 0.77 LMNA (0.51) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4825999 0.74 CYP3A4 (0.54) CHEK2CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL21017784 0.74 CHEK2 (0.57) CHEK2NPC1RAB9AHPGDMAPT
SCHEMBL29770426 0.73 NPC1 (0.58) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL26189984 0.73 NPC1 (0.40) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8

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-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP claimed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP claimed
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP disclosed
US-4753955-A ANTIULCER TOKYO TANABE COMPANY, LTD. (JP) 1988-06-28 US disclosed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP disclosed