SCHEMBL9900920

SCHEMBL9900920

COc1ncc(Cc2cnc(OCCc3ccc(Oc4c(F)cc(Cl)cc4F)cc3)[n+]([O-])c2)cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.33
GRM2 Q14416 1/20 0.32
SCN9A Q15858 1/20 0.31
NPBWR1 P48145 3/20 0.31
MCHR1 Q99705 1/20 0.31
PLA2G7 Q13093 4/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9900919 0.76 PLA2G7 (0.55) NPBWR1PLA2G7USP2ALDH1A1CYP1A2
SCHEMBL9106670 0.75 PLA2G7 (0.39) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9109715 0.66 SMN1; SMN2 (0.44) NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL9107499 0.64 PDE4B (0.40) ALDH1A1
SCHEMBL9108853 0.62 PLA2G7 (0.49) PLA2G7
SCHEMBL9889539 0.62 ST14 (0.34)
SCHEMBL9104512 0.62 PLA2G7 (0.36) GPR84PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL9109709 0.61 SOS1 (0.33) NPBWR1ALDH1A1
SCHEMBL9108589 0.60 PLA2G7 (0.38) PLA2G7USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9105717 0.60 PLA2G7 (0.41) GRM2PLA2G7USP2ALDH1A1CYP1A2

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