SCHEMBL9901279

SCHEMBL9901279

[CH2]Cc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ PLAAT3 P53816 1/20 0.34
▸ PLAAT5 Q96KN8 1/20 0.34
▸ PLAAT2 Q9NWW9 1/20 0.34
▸ PLAAT4 Q9UL19 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ ST14 Q9Y5Y6 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
SCHEMBL4373280 0.83 ST14 (0.52) MAOBST14
SCHEMBL875696 0.83 LTA4H (0.50) FAAHSMN1; SMN2SCN9APLAAT3PLAAT5
SCHEMBL9900498 0.82 SCN9A (0.49) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
Hydrochloric Acid SCHEMBL1713787 0.82 MAOB (0.50) MAOBST14
SCHEMBL9103247 0.81 FAAH (0.42) FAAHSMN1; SMN2SCN9APLAAT3PLAAT5
SCHEMBL1713357 0.80 CACNA1B (0.39) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL9105782 0.79 PPARD (0.34) SCN9A
SCHEMBL5534895 0.77 MAPK14 (0.48) SCN9AMAOB
SCHEMBL9107953 0.77 ALDH1A1 (0.37) SMN1; SMN2SCN9ALMNA
SCHEMBL9106039 0.77 SMN1; SMN2 (0.42) SMN1; SMN2SCN9ALMNAMAOBLIPE

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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