SCHEMBL10579334

SCHEMBL10579334

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.64
▸ KCNH2 Q12809 2/20 0.64
▸ NPBWR1 P48145 4/20 0.54
▸ SCD O00767 2/20 0.52
▸ CHEK1 O14757 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ MAP2K2 P36507 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ PRKX P51817 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ LIMK1 P53667 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ PRKCQ Q04759 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51

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
SCHEMBL10579325 0.90 DGAT1 (0.51) DGAT1KCNH2NPBWR1SCDCHEK1
SCHEMBL10577479 0.88 NPBWR1 (0.67) DGAT1KCNH2NPBWR1SCDTRPV1
SCHEMBL10576089 0.87 NPBWR1 (0.64) DGAT1KCNH2NPBWR1SCDTRPV1
SCHEMBL10573947 0.86 NPC1 (0.58) DGAT1KCNH2NPBWR1SCDTRPV1
SCHEMBL10575692 0.85 NPBWR1 (0.49) DGAT1KCNH2NPBWR1SCDTRPV1
SCHEMBL10573910 0.85 SLC2A1 (0.62) NPBWR1TRPV1CHEK2MEN1KMT2A
SCHEMBL10577338 0.81 DGAT1 (0.57) DGAT1KCNH2NPBWR1SCDCHEK1
SCHEMBL10579204 0.81 ALOX5 (0.62) NPBWR1TRPV1CHEK2ALDH1A1HPGD
SCHEMBL10578018 0.79 DGAT1 (0.62) DGAT1KCNH2NPBWR1ALDH1A1HPGD
SCHEMBL10577412 0.78 F2 (0.41) DGAT1KCNH2NPBWR1SCDALDH1A1

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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