SCHEMBL9900826

SCHEMBL9900826

CCOC(=O)c1cnc(SCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA6 P23280 4/20 0.49
CA7 P43166 4/20 0.49
CA13 Q8N1Q1 4/20 0.49
PLA2G7 Q13093 2/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
DAO P14920 2/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL9108890 0.83 KDM4E (0.39) PLA2G7KDM4EPPARGPPARARAF1
SCHEMBL3583829 0.79 KDM6B (0.55) CA12CA1CA2CA6CA7
SCHEMBL29581998 0.78 CA12 (0.47) CA12CA1CA2CA6CA7
SCHEMBL22867798 0.76 CA12 (0.50) CA12CA1CA2CA6CA7
SCHEMBL29581389 0.76 CA12 (0.50) CA12CA1CA2CA6CA7
SCHEMBL9900452 0.76 PLA2G7 (0.55) PLA2G7DAOMAPTSMN1; SMN2
SCHEMBL9904533 0.74 PLA2G7 (0.49) PLA2G7DAO
SCHEMBL9900816 0.73 PLA2G7 (0.47) PLA2G7
SCHEMBL366843 0.72 SCN9A (0.49) PLA2G7MAPTLMNAPPARGPPARA
SCHEMBL9104734 0.72 PLA2G7 (0.42) PLA2G7PPARGPPARARAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed