SCHEMBL4418840

SCHEMBL4418840

CO/C=C(/Cc1cnn(C)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
ERCC5 P28715 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PKM P14618 1/20 0.33
OPRD1 P41143 1/20 0.33
TSHR P16473 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL5867374 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL4424681 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL4424678 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9107961 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9107974 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9107401 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9107405 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL15262697 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL4360008 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9107217 0.75 MEN1 (0.41) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2

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-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
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed