SCHEMBL4425561

SCHEMBL4425561

CCOC(=O)CCCn1cc(C(C)c2cn[nH]c2)c(=O)[nH]c1=S

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.40
LMNA P02545 1/20 0.38
EP300 Q09472 1/20 0.34

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
SCHEMBL7099068 0.81 TNF (0.39) TNFLMNAEP300
SCHEMBL4414209 0.73 PLA2G7 (0.46)
SCHEMBL7006492 0.71 TNF (0.40) TNFLMNA
SCHEMBL5867433 0.71 TNF (0.43) TNFLMNA
SCHEMBL4425565 0.71 TNF (0.40) TNFLMNA
SCHEMBL7012983 0.68 EP300 (0.40) TNFLMNAEP300
SCHEMBL4411686 0.66 L3MBTL1 (0.41) TNFLMNA
SCHEMBL7099070 0.65 TNF (0.41) TNFLMNAEP300
SCHEMBL12657435 0.64 LMNA (0.85) TNFLMNA
SCHEMBL27745079 0.62 PDE4A (0.52) TNF

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