SCHEMBL10580104

SCHEMBL10580104

COc1ccccc1-c1nc2cc(C(C)(C)CNC=O)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.45
▸ AMY1A P0DUB6 5/20 0.42
▸ AURKA O14965 1/20 0.41
▸ SLC2A1 P11166 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10580112 0.92 PDE5A (0.47) PDE5AAMY1AAURKASLC2A1HDAC6
SCHEMBL10574093 0.87 AMY1A (0.43) PDE5AAMY1ANPC1RAB9AFGFR1
SCHEMBL10577353 0.85 NPC1 (0.37) PDE5AAMY1ASLC2A1NPC1RAB9A
SCHEMBL10572968 0.85 NPC1 (0.35) AMY1ANPC1RAB9A
SCHEMBL10579306 0.85 CDK4 (0.38) PDE5AAMY1ANPC1RAB9A
SCHEMBL10575990 0.85 NR1I2 (0.42) AMY1A
SCHEMBL10575604 0.84 PDE5A (0.34) PDE5AAMY1ASLC2A1NPC1RAB9A
SCHEMBL10576075 0.84 ALOX5 (0.47) AMY1APARP1HDAC6
SCHEMBL10577199 0.83 AMY1A (0.47) AMY1A
SCHEMBL10578360 0.83 AMY1A (0.34) AMY1ANPC1RAB9A

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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