SCHEMBL10578367

SCHEMBL10578367

COc1nc(C)ccc1-c1nc2ccc(C(C)(C)CNC=O)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 7/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ CBFB Q13951 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL10578360 0.92 AMY1A (0.34) AMY1ACARM1
SCHEMBL10578009 0.87 THRB (0.36) AMY1ANPBWR1METAP2SCDTHRB
SCHEMBL10580112 0.83 PDE5A (0.47) AMY1ASCDHDAC6TP53
SCHEMBL10576002 0.82 HDAC6 (0.36) AMY1ATRPV1HRH4METAP2SCD
SCHEMBL10574102 0.82 AMY1A (0.50) AMY1ANPBWR1HRH4
SCHEMBL10572988 0.82 NPBWR1 (0.34) AMY1ANPBWR1TRPV1CBFBMETAP2
SCHEMBL10576214 0.81 AMY1A (0.41) AMY1AHDAC6TP53
SCHEMBL10574279 0.81 SLC2A1 (0.55) NPBWR1TRPV1TP53
SCHEMBL10579371 0.80 CDK4 (0.44) AMY1ANPBWR1CBFBSCD
SCHEMBL10579971 0.80 NPC1 (0.49) NPBWR1TRPV1SCDHDAC6

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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