SCHEMBL9900498

SCHEMBL9900498

[CH2]Cc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.49
▸ PLAAT3 P53816 1/20 0.48
▸ PLAAT5 Q96KN8 1/20 0.48
▸ PLAAT2 Q9NWW9 1/20 0.48
▸ PLAAT4 Q9UL19 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ SCN10A Q9Y5Y9 5/20 0.39
▸ DAO P14920 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ SCN8A Q9UQD0 2/20 0.36

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
SCHEMBL4375266 0.84 ST14 (0.50) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9901279 0.82 FAAH (0.36) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9108961 0.81 PLAAT3 (0.55) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL129948 0.81 TRPV4 (0.52) MRGPRX4TRPV4DAO
SCHEMBL25383135 0.78 ALDH1A1 (0.50) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9104744 0.77 SCN9A (0.46) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5534895 0.75 MAPK14 (0.48) SCN9A
SCHEMBL9106039 0.75 SMN1; SMN2 (0.42) SCN9A
SCHEMBL15006214 0.74 CYP19A1 (0.51) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9107191 0.74 KDM4E (0.50) SCN9APLAAT3PLAAT5PLAAT2PLAAT4

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
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