SCHEMBL9901291

SCHEMBL9901291

Cc1nc(SCc2ccc(Oc3ccc(F)c(C(F)(F)F)c3)c(C#N)c2)[nH]c(=O)c1Cc1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.40
GFER P55789 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
AR P10275 4/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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 0.93 PLA2G7 (0.48) PLA2G7GFERKDM4ETSHRAR
SCHEMBL9900226 0.91 SLC22A12 (0.41) PLA2G7GFERKDM4ETSHRSLC22A12
SCHEMBL9900537 0.88 MEN1 (0.46) PLA2G7GFERKDM4ETSHRLMNA
SCHEMBL9901101 0.87 PLA2G7 (0.53) PLA2G7SLC22A12AR
SCHEMBL9900524 0.84 PLA2G7 (0.43) PLA2G7GFERKDM4ETSHRAR
SCHEMBL9900797 0.83 MEN1 (0.39) PLA2G7GFERKDM4ETSHRGAA
SCHEMBL9105968 0.82 PLA2G7 (0.41) PLA2G7SLC22A12AR
SCHEMBL9900408 0.80 PLA2G7 (0.56) PLA2G7AR
SCHEMBL9902064 0.80 SLC22A12 (0.42) PLA2G7SLC22A12AR
SCHEMBL9108200 0.80 PLA2G7 (0.55) PLA2G7SLC22A12

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