SCHEMBL4376723

SCHEMBL4376723

CCOC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
FOS P01100 1/20 0.45
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 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
SCHEMBL4949580 0.84 SIRT2 (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL15167783 0.84 MAPT (0.52) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL3586812 0.81 ALDH1A1 (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9199565 0.80 CSNK1D (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL4415499 0.78 MEN1 (0.50) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL4376727 0.76 KDM4E (0.76) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL30741035 0.75 GCGR (0.49) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL16974089 0.75 KDM4E (0.50) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL10275895 0.75 KDM4E (0.45) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL10275964 0.74 KDM4E (0.43) KDM4EMAPTMEN1KMT2AHSP90AA1

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-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
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
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed