SCHEMBL10577338

SCHEMBL10577338

CC(C)(CNC=O)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.57
▸ KCNH2 Q12809 3/20 0.57
▸ SCD O00767 2/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ NPBWR1 P48145 4/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ NEK2 P51955 1/20 0.45
▸ LIMK1 P53667 1/20 0.45

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
SCHEMBL10577324 0.91 DGAT1 (0.46) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10574680 0.90 NPBWR1 (0.59) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10578710 0.89 MEN1 (0.49) SCDHDAC6NPBWR1TP53MAPT
SCHEMBL10578004 0.89 NPBWR1 (0.58) DGAT1KCNH2NPBWR1TRPV1SOAT1
SCHEMBL10576865 0.89 HDAC6 (0.43) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10578455 0.89 NPBWR1 (0.56) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10574710 0.88 NPC1 (0.51) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10574922 0.87 HDAC6 (0.43) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10573294 0.87 TCF4 (0.53) DGAT1KCNH2SCDHDAC6NPBWR1
SCHEMBL10574279 0.87 SLC2A1 (0.55) NPBWR1TP53MAPTSMN1; SMN2TRPV1

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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