SCHEMBL10577985

SCHEMBL10577985

CC(C)(CNC=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.46
▸ DGAT1 O75907 4/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ SOAT1 P35610 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ KIT P10721 4/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CHEK2 O96017 1/20 0.41

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
SCHEMBL10578004 0.91 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL10580688 0.91 HDAC6 (0.52) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL10574665 0.90 NPBWR1 (0.47) NPBWR1TRPV1HDAC6RAB9ACHEK2
SCHEMBL10574691 0.90 KDM4E (0.43) KITHDAC6RAB9A
SCHEMBL10577324 0.89 DGAT1 (0.46) NPBWR1DGAT1KCNH2TRPV1HDAC6
SCHEMBL10578691 0.89 GUSB (0.43) NPBWR1HDAC6TNKSTNKS2RAB9A
SCHEMBL10578441 0.89 HDAC6 (0.46) NPBWR1DGAT1KCNH2HDAC6TNKS
SCHEMBL10573285 0.87 TCF4 (0.45) NPBWR1TRPV1HDAC6RAB9A
SCHEMBL10574269 0.87 NPC1 (0.48) NPBWR1TRPV1HDAC6TNKSTNKS2
SCHEMBL10571887 0.84 KIT (0.39) NPBWR1DGAT1KCNH2TRPV1KIT

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
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