SCHEMBL4415191

SCHEMBL4415191

O=c1[nH]c(SCc2ccc(F)cc2)ncc1Cc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.74
DAO P14920 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP13 P45452 1/20 0.48
MAOB P27338 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL4423257 0.89 PLA2G7 (0.76) PLA2G7DAOMAOB
SCHEMBL7011044 0.88 PLA2G7 (0.78) PLA2G7DAOSMN1; SMN2LMNACYP1A2
SCHEMBL4418525 0.85 PLA2G7 (1.00) PLA2G7DAOMAOBMAPT
SCHEMBL7585604 0.85 PLA2G7 (0.78) PLA2G7DAOLMNAHPGDMAOB
SCHEMBL3545058 0.83 PLA2G7 (0.71) PLA2G7DAOLMNAHPGDMAOB
SCHEMBL7011666 0.83 PLA2G7 (0.71) PLA2G7DAOMAOB
SCHEMBL7008634 0.82 PLA2G7 (1.00) PLA2G7DAO
SCHEMBL4419405 0.82 PLA2G7 (0.73) PLA2G7DAOMAOBMAPT
SCHEMBL4949027 0.82 PLA2G7 (0.70) PLA2G7DAOLMNAHPGDMAOB
SCHEMBL4418872 0.81 PLA2G7 (0.72) PLA2G7DAOLMNAHPGDMAOB

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 3 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
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed