SCHEMBL10575682

SCHEMBL10575682

CC(C)(CN)c1ccc2[nH]c(-c3ccc(O)nc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ PKM P14618 2/20 0.40
▸ NPBWR1 P48145 4/20 0.39
▸ MITF O75030 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ DGAT1 O75907 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10575692 0.91 NPBWR1 (0.49) HDAC6NPC1NPBWR1KDM4EALDH1A1
SCHEMBL10579325 0.85 DGAT1 (0.51) HDAC6NPBWR1ALDH1A1DGAT1KCNH2
SCHEMBL10574912 0.83 MITF (0.37) HDAC6NPC1RAB9APKMNPBWR1
SCHEMBL10577465 0.82 NPBWR1 (0.53) HDAC6NPC1RAB9APKMNPBWR1
SCHEMBL10576078 0.80 HDAC6 (0.52) HDAC6NPC1RAB9ANPBWR1KDM4E
SCHEMBL10578011 0.80 MAPT (0.55) HDAC6NPC1RAB9AKDM4EALDH1A1
SCHEMBL10573939 0.79 KDM4E (0.49) HDAC6NPC1RAB9ANPBWR1KDM4E
SCHEMBL10573902 0.79 NPC1 (0.54) HDAC6NPC1RAB9APKMNPBWR1
SCHEMBL15245185 0.77 DGAT1 (0.63) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL10579198 0.77 ALOX5 (0.53) HDAC6KDM4EALDH1A1PARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
Send feedback