SCHEMBL10577199

SCHEMBL10577199

COc1cc(-c2nc3cc(C(C)(C)CNC=O)ccc3[nH]2)cc(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 6/20 0.47
▸ SMPD3 Q9NY59 12/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL10577231 0.92 AMY1A (0.55) AMY1ASMPD3NOX1
SCHEMBL10576075 0.89 ALOX5 (0.47) AMY1AMAPT
SCHEMBL10576840 0.86 HDAC6 (0.36) TP53MAPT
SCHEMBL10574269 0.85 NPC1 (0.48) TP53MAPT
SCHEMBL10577324 0.84 DGAT1 (0.46) TP53MAPT
SCHEMBL10580104 0.83 PDE5A (0.45) AMY1A
SCHEMBL10574912 0.83 MITF (0.37) TP53MAPT
SCHEMBL10580688 0.82 HDAC6 (0.52) TP53MAPT
SCHEMBL10578441 0.82 HDAC6 (0.46) TP53MAPT
SCHEMBL10574083 0.81 LOXL2 (0.39) MAPT

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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