SCHEMBL9954260

SCHEMBL9954260

COc1ncc(Br)cc1-c1nnn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PDE10A Q9Y233 2/20 0.35
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
TYK2 P29597 6/20 0.32
PPARA Q07869 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL9959889 0.74 DGAT1 (0.35) RAB9ANPC1MAPT
SCHEMBL9952722 0.73 HIF1A (0.40) ALDH1A1PDE10ALRRK2
SCHEMBL31182088 0.72 RAB9A (0.38) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL30035295 0.72 RAB9A (0.38) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL30961444 0.72 PDE10A (0.43) RAB9ANPC1EPHX2L3MBTL1KDM4E
SCHEMBL10289055 0.72 GPR35 (0.48) L3MBTL1KDM4EALDH1A1
SCHEMBL20265710 0.71 MALT1 (0.35) EPHX2TYK2PPARA
SCHEMBL25212088 0.70 BDKRB1 (0.35) EPHX2LRRK2
SCHEMBL29818560 0.70 BDKRB1 (0.35) EPHX2LRRK2
SCHEMBL9953876 0.70 ALDH1A1 (0.32) RAB9ANPC1ALDH1A1PPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed