SCHEMBL6119409

SCHEMBL6119409

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 5/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PRNP P04156 1/20 0.40
GAA P10253 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL18095501 0.91 CYP2C9 (0.44) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL6118798 0.83 ALOX5 (0.46) MAPTALOX5MEN1KMT2APRNP
SCHEMBL9952934 0.82 CYP2C9 (0.46) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL2295394 0.82 ALOX5 (0.52) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL2297091 0.81 PTGS2 (0.45) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL6119280 0.80 TRPV1 (0.40)
SCHEMBL15455978 0.79 MAPT (0.42) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL6120029 0.79 MAPT (0.43) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL6118842 0.78 ALOX5 (0.43) MAPTTP53THRBSMN1; SMN2ALOX5
SCHEMBL6119825 0.78 CYP2C9 (0.49)

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