SCHEMBL9900537

SCHEMBL9900537

Cc1nc(SCc2ccc(Oc3cccc(C(F)(F)F)c3)c(C#N)c2)[nH]c(=O)c1Cc1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
TNF P01375 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
GFER P55789 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
DAO P14920 1/20 0.39
TP53 P04637 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
PLA2G7 Q13093 1/20 0.36
BRD4 O60885 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 2/20 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
SCHEMBL9900841 0.88 PLA2G7 (0.48) GFERKDM4ETSHRPLA2G7
SCHEMBL9901291 0.88 PLA2G7 (0.40) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9900606 0.87 PLA2G7 (0.51) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9900797 0.87 MEN1 (0.39) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9900595 0.84 TP53 (0.46) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9107454 0.82 MEN1 (0.40) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9901970 0.81 DAO (0.50) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9901012 0.80 PLA2G7 (0.45) MEN1TNFPOLBKMT2ANOD2
SCHEMBL9900524 0.80 PLA2G7 (0.43) MEN1KMT2AGFERKDM4ETSHR
SCHEMBL9901544 0.79 DAO (0.45) MEN1TNFPOLBKMT2ANOD2

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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed