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Sugi Predict / Compounds / SCHEMBL9904535

SCHEMBL9904535

SCHEMBL9904535

Cn1c(Cc2cnc(SCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)[n+]([O-])c2)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 15/20 0.39
▸ OPRK1 P41145 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ NR1H2 P55055 3/20 0.35
▸ NR1H3 Q13133 2/20 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
SCHEMBL9904533 0.79 PLA2G7 (0.49) PLA2G7NR1H2NR1H3
SCHEMBL9107684 0.77 PLA2G7 (0.39) PLA2G7OPRK1NR1H2NR1H3
SCHEMBL9106018 0.65 PLA2G7 (0.51) PLA2G7
SCHEMBL9104268 0.65 IDO1 (0.50) PLA2G7GPR84
SCHEMBL9889604 0.65 MCL1 (0.35) PLA2G7
SCHEMBL9107276 0.64 PLA2G7 (0.47) PLA2G7OPRK1
SCHEMBL9108515 0.64 PLA2G7 (0.64) PLA2G7
SCHEMBL9104868 0.63 FLT1 (0.38) PLA2G7OPRK1
SCHEMBL5668761 0.62 PPARG (0.52) PLA2G7GPR84
SCHEMBL9107281 0.62 PLA2G7 (0.45) PLA2G7

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