SCHEMBL9901570

SCHEMBL9901570

CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.49
AR P10275 2/20 0.45
SCN9A Q15858 3/20 0.45
HTR2A P28223 3/20 0.44
SLC6A4 P31645 3/20 0.44
KCNH2 Q12809 3/20 0.44
IDO1 P14902 2/20 0.43
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL29918343 0.87 AR (0.50) PLA2G7ARSCN9AHTR2ASLC6A4
SCHEMBL14656196 0.87 AR (0.50) PLA2G7ARSCN9AHTR2ASLC6A4
SCHEMBL24385994 0.85 AR (0.46) PLA2G7ARHTR2ASLC6A4KCNH2
SCHEMBL9104816 0.85 PLA2G7 (0.47) PLA2G7ARSCN9AHTR2ASLC6A4
SCHEMBL29918519 0.85 PLA2G7 (0.47) PLA2G7ARSCN9AHTR2ASLC6A4
SCHEMBL25737338 0.84 PLA2G7 (0.56) PLA2G7IDO1
SCHEMBL9104268 0.83 IDO1 (0.50) PLA2G7ARIDO1BRAF
SCHEMBL24998717 0.80 AR (0.46) PLA2G7ARSCN9AHTR2ASLC6A4
SCHEMBL11990072 0.79 SLC6A4 (0.48) HTR2ASLC6A4KCNH2
SCHEMBL9107362 0.78 SCN9A (0.45) PLA2G7ARSCN9AHTR2ASLC6A4

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