SCHEMBL4424437

SCHEMBL4424437

COC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
S1PR4 O95977 1/20 0.50
S1PR3 Q99500 1/20 0.50
NOTUM Q6P988 1/20 0.50
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A3 Q01959 5/20 0.47
SLC6A2 P23975 3/20 0.47
KMO O15229 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGDS O60760 1/20 0.46
RHEB Q15382 1/20 0.46
PKM P14618 1/20 0.46
RCE1 Q9Y256 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29801160 0.88 KDM4E (0.48) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL24685404 0.88 KDM4E (0.48) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL29854237 0.88 KDM4E (0.48) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL4412321 0.84 MAPT (0.55) MAPK1KDM4EL3MBTL1SLC6A3RXFP1
SCHEMBL29801048 0.83 MAPK1 (0.43) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL29854329 0.83 MAPK1 (0.43) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL24975201 0.83 MAPK1 (0.43) MAPK1S1PR4S1PR3KDM4EL3MBTL1
SCHEMBL29598250 0.83 MAPK1 (0.61) MAPK1KDM4EL3MBTL1RXFP1HPGDS
SCHEMBL27920850 0.81 HPGDS (0.58) KDM4EKMORXFP1HPGDSSMN1; SMN2
SCHEMBL4429958 0.80 KMO (0.69) NOTUMKDM4EL3MBTL1SLC6A3SLC6A2

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