SCHEMBL10576089

SCHEMBL10576089

CC(C)(CN)c1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.64
▸ DGAT1 O75907 2/20 0.61
▸ KCNH2 Q12809 2/20 0.61
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ RCE1 Q9Y256 1/20 0.57
▸ SCD O00767 1/20 0.54
▸ TP53 P04637 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL10576078 0.89 HDAC6 (0.52) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL10573947 0.88 NPC1 (0.58) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL10577479 0.88 NPBWR1 (0.67) NPBWR1DGAT1KCNH2ALDH1A1NPC1
SCHEMBL10579334 0.87 DGAT1 (0.64) NPBWR1DGAT1KCNH2ALDH1A1HPGD
SCHEMBL10578018 0.86 DGAT1 (0.62) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL10573910 0.85 SLC2A1 (0.62) NPBWR1KDM4EALDH1A1HPGDNPC1
SCHEMBL10256934 0.84 NPBWR1 (0.73) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL10580080 0.82 METAP2 (0.75) KDM4EHPGDNPC1RAB9AMAPT
SCHEMBL4192687 0.82 DGAT1 (0.74) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL10578455 0.80 NPBWR1 (0.56) NPBWR1DGAT1KCNH2KDM4EALDH1A1

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
Send feedback