SCHEMBL9901996

SCHEMBL9901996

COC(=O)CCc1cnc(SCc2ccc(Oc3cccc(C(F)(F)F)c3)c(C#N)c2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.46
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.35
GCK P35557 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9901970 0.89 DAO (0.50) DAOPOLBKMT2AMEN1TNF
SCHEMBL9104064 0.85 CYP1A2 (0.39) DAOPOLBKMT2AMEN1TNF
SCHEMBL9901544 0.85 DAO (0.45) DAOPOLBKMT2AMEN1TNF
SCHEMBL9900606 0.84 PLA2G7 (0.51) DAOPOLBKMT2AMEN1TNF
SCHEMBL9900956 0.79 PLA2G7 (0.43) DAOPOLBKMT2AMEN1TNF
SCHEMBL9901012 0.78 PLA2G7 (0.45) DAOPOLBKMT2AMEN1TNF
SCHEMBL9900537 0.76 MEN1 (0.46) DAOPOLBKMT2AMEN1TNF
SCHEMBL9900816 0.75 PLA2G7 (0.47) PLA2G7
SCHEMBL9889638 0.75 BRD4 (0.39) POLBKMT2AMEN1CYP2C19RAB9A
SCHEMBL9106692 0.75 POLB (0.43) DAOPOLBKMT2AMEN1TNF

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