SCHEMBL10580112

SCHEMBL10580112

COc1ccccc1-c1nc2ccc(C(C)(C)CNC=O)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.47
▸ AMY1A P0DUB6 8/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ SCD O00767 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL10580104 0.92 PDE5A (0.45) PDE5AAMY1AHDAC6AURKASLC2A1
SCHEMBL10574102 0.87 AMY1A (0.50) PDE5AAMY1A
SCHEMBL10576214 0.85 AMY1A (0.41) AMY1AHDAC6TP53POLBMAPT
SCHEMBL10579371 0.85 CDK4 (0.44) AMY1ASCD
SCHEMBL10576003 0.85 NR1I2 (0.42) AMY1ASCD
SCHEMBL10575621 0.84 AMY1A (0.36) PDE5AAMY1AHDAC6TP53POLB
SCHEMBL10576087 0.84 ALOX5 (0.56) AMY1AHDAC6
SCHEMBL10578367 0.83 AMY1A (0.36) AMY1AHDAC6SCDTP53
SCHEMBL10577231 0.83 AMY1A (0.55) AMY1AHDAC6
SCHEMBL10578455 0.83 NPBWR1 (0.56) HDAC6SCDTP53MAPT

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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