SCHEMBL10108899

SCHEMBL10108899

CC(C)(C)OC(=O)c1ccc(-n2c(=O)[nH]c3ncccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PRKCQ Q04759 11/20 0.43
PRKCA P17252 1/20 0.41
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR1 P11362 1/20 0.37
MAT2A P31153 1/20 0.36
PKM P14618 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL527382 0.84 SMN1; SMN2 (0.56) DAOALDH1A1PRKCQPRKCANPC1
SCHEMBL530180 0.81 DAO (0.54) DAOALDH1A1PRKCQPRKCASMN1; SMN2
SCHEMBL21385026 0.75 DAO (0.52) DAOALDH1A1PRKCQFEN1
SCHEMBL11511885 0.75 DAO (0.58) DAOALDH1A1PRKCQPRKCAGAA
SCHEMBL30377628 0.74 DAO (0.50) DAOALDH1A1PRKCQPRKCAADORA3
SCHEMBL22090020 0.72 KDM4E (0.53) DAOALDH1A1
SCHEMBL10108726 0.71 DAO (0.50) DAOALDH1A1PRKCQPRKCAADORA3
SCHEMBL23253066 0.70 PRKCQ (0.54) DAOALDH1A1PRKCQPRKCAADORA3
SCHEMBL30257859 0.70 DAO (0.55) DAOALDH1A1PRKCQPRKCAADORA3
SCHEMBL28492436 0.69 SMN1; SMN2 (0.57) DAOALDH1A1NPC1GAASMN1; SMN2

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-2012015693-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-02-02 WO disclosed