SCHEMBL6949752

SCHEMBL6949752

Cn1cc(Cc2cnc(=O)n(CC(=O)O)c2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.67
CYP3A4 P08684 1/20 0.49

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
SCHEMBL6947330 0.89 PLA2G7 (0.59) PLA2G7
SCHEMBL4413998 0.88 PLA2G7 (0.73) PLA2G7CYP3A4
SCHEMBL6947946 0.87 PLA2G7 (0.79) PLA2G7
SCHEMBL6947743 0.87 PLA2G7 (0.68) PLA2G7
SCHEMBL7008385 0.84 PLA2G7 (0.67) PLA2G7
SCHEMBL6951485 0.84 PLA2G7 (0.66) PLA2G7
SCHEMBL6951248 0.84 PLA2G7 (0.70) PLA2G7
SCHEMBL6947767 0.84 PLA2G7 (0.84) PLA2G7
SCHEMBL6949724 0.84 PLA2G7 (0.84) PLA2G7
SCHEMBL6954832 0.82 PLA2G7 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105377-B1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-10-08 EP claimed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US claimed
EP-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP claimed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO claimed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US disclosed