SCHEMBL2295337

SCHEMBL2295337

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(NCc3ccc(Br)c(F)c3)c(C3CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PRNP P04156 1/20 0.45
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.41
ALOX5 P09917 4/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL2301409 0.89 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19
SCHEMBL2297836 0.88 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19
SCHEMBL9952934 0.80 CYP2C9 (0.46) MEN1KMT2APRNPCYP3A4CYP2C9
SCHEMBL14697404 0.79 ALOX5 (0.49) MEN1KMT2APRNPMAPTALOX5
SCHEMBL2300561 0.78 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19
SCHEMBL2297368 0.78 ALOX5 (0.48) MEN1KMT2APRNPCYP3A4CYP2C9
SCHEMBL18095501 0.78 CYP2C9 (0.44) MEN1KMT2APRNPCYP3A4CYP2C9
SCHEMBL14697648 0.77 ALOX5 (0.45) MEN1KMT2APRNPCYP3A4CYP2C9
Alcohol SCHEMBL9954178 0.77 ALOX5 (0.48) MEN1KMT2APRNPCYP3A4CYP2C9
SCHEMBL6119862 0.77 MAPT (0.43) MEN1KMT2APRNPCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed