SCHEMBL9900919

SCHEMBL9900919

COc1ncc(Cc2cnc(OCCc3ccc(Oc4c(F)cc(Cl)cc4F)cc3)[nH]c2=O)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.55
MMP13 P45452 5/20 0.35
MMP10 P09238 3/20 0.34
MMP8 P22894 3/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
NPBWR1 P48145 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9106670 0.84 PLA2G7 (0.39) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9900920 0.76 GPR84 (0.33) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9108853 0.73 PLA2G7 (0.49) PLA2G7
SCHEMBL9889693 0.72 PLA2G7 (0.37) PLA2G7
SCHEMBL15278088 0.71 PLA2G7 (0.39) PLA2G7CYP2C9
SCHEMBL9104512 0.71 PLA2G7 (0.36) PLA2G7MMP13MMP10MMP8ALDH1A1
SCHEMBL9108589 0.71 PLA2G7 (0.38) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9105717 0.70 PLA2G7 (0.41) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9103297 0.70 PLA2G7 (0.49) PLA2G7
SCHEMBL9107062 0.70 PLA2G7 (0.43) PLA2G7SMN1; SMN2NPBWR1

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