SCHEMBL9901101

SCHEMBL9901101

N#Cc1cc(CSc2ncc(Cc3cncnc3)c(=O)[nH]2)ccc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 12/20 0.53
SLC22A12 Q96S37 2/20 0.42
AR P10275 4/20 0.38
DAO P14920 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
SCHEMBL9900408 0.92 PLA2G7 (0.56) PLA2G7AR
SCHEMBL9902064 0.90 SLC22A12 (0.42) PLA2G7SLC22A12ARDAO
SCHEMBL9901291 0.87 PLA2G7 (0.40) PLA2G7SLC22A12AR
SCHEMBL9900606 0.87 PLA2G7 (0.51) PLA2G7DAO
SCHEMBL9105968 0.86 PLA2G7 (0.41) PLA2G7SLC22A12ARDAO
SCHEMBL9901506 0.85 PLA2G7 (0.57) PLA2G7
SCHEMBL9900710 0.84 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9900816 0.83 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9108200 0.81 PLA2G7 (0.55) PLA2G7SLC22A12
SCHEMBL9900841 0.80 PLA2G7 (0.48) PLA2G7AR

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