SCHEMBL4412945

SCHEMBL4412945

CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)c(F)c1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.86
CYP3A4 P08684 4/20 0.73
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
SCHEMBL4415555 0.93 PLA2G7 (1.00) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4411475 0.88 PLA2G7 (0.86) PLA2G7
SCHEMBL5867357 0.87 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4412429 0.86 PLA2G7 (0.85) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4411628 0.85 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4425725 0.85 PLA2G7 (0.88) PLA2G7CYP3A4
SCHEMBL4426154 0.84 PLA2G7 (1.00) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4414087 0.84 PLA2G7 (1.00) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5867426 0.84 PLA2G7 (0.99) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4416549 0.84 PLA2G7 (1.00) PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9

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-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed