SCHEMBL530180

SCHEMBL530180

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.54
PRKCQ Q04759 10/20 0.48
ALDH1A1 P00352 1/20 0.48
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRKCA P17252 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CALCRL Q16602 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL11511885 0.85 DAO (0.58) DAOPRKCQALDH1A1GSK3BPRKCA
SCHEMBL10108726 0.83 DAO (0.50) DAOPRKCQALDH1A1PRKCAL3MBTL1
SCHEMBL10108899 0.81 DAO (0.46) DAOPRKCQALDH1A1SMN1; SMN2PRKCA
SCHEMBL527382 0.81 SMN1; SMN2 (0.56) DAOPRKCQALDH1A1GSK3BKDM4E
SCHEMBL23253066 0.80 PRKCQ (0.54) DAOPRKCQALDH1A1PRKCAMEN1
SCHEMBL527340 0.78 DAO (0.54) DAOALDH1A1GSK3BKDM4ESMN1; SMN2
SCHEMBL30377628 0.78 DAO (0.50) DAOPRKCQALDH1A1PRKCA
SCHEMBL30257859 0.77 DAO (0.55) DAOPRKCQALDH1A1PRKCAFEN1
SCHEMBL16634744 0.77 L3MBTL1 (0.55) DAOGSK3BKDM4ESMN1; SMN2MEN1
SCHEMBL30079630 0.75 DAO (0.50) DAOPRKCQALDH1A1PRKCAPOLB

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