SCHEMBL9045797

SCHEMBL9045797

COc1ccccc1Cc1c(NS(=O)(=S)c2ccc(C)cc2)ncnc1OCCO

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.68
EDNRB P24530 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
DHPS P49366 2/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR1I3 Q14994 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
SCHEMBL9045387 0.90 EDNRA (0.65) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9047114 0.83 EDNRA (0.82) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9053901 0.83 EDNRA (0.80) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9044668 0.81 EDNRA (0.78) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9045783 0.81 EDNRA (0.78) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9046873 0.81 EDNRA (1.00) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9046624 0.81 EDNRA (0.78) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9493332 0.80 EDNRA (0.77) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9044370 0.80 EDNRA (0.77) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL9045999 0.80 EDNRA (0.85) EDNRAEDNRBDHPSABCC3ABCC4

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
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP claimed