SCHEMBL6119862

SCHEMBL6119862

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(=O)(=O)C(C)S(=O)(=O)CC)c(C3CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 5/20 0.43
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
KDM4E B2RXH2 3/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRNP P04156 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 2/20 0.39

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
SCHEMBL6119370 0.91 MAPT (0.41) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL9952934 0.89 CYP2C9 (0.46) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL15455978 0.87 MAPT (0.42) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL18095501 0.86 CYP2C9 (0.44) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL2297091 0.82 PTGS2 (0.45) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL6120102 0.81 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19KDM4EMEN1
SCHEMBL14697648 0.81 ALOX5 (0.45) MAPTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL2297368 0.80 ALOX5 (0.48) MAPTCYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL6118746 0.79 CYP2C9 (0.54) CYP3A4CYP2C9CYP2C19KCNH2
Alcohol SCHEMBL9954178 0.79 ALOX5 (0.48) MAPTCYP3A4CYP2C9CYP2C19KDM4E

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-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed