SCHEMBL9423809

SCHEMBL9423809

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2cccs2)nc1OCC(O)CO

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.76
EDNRB P24530 16/20 0.76
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
DHPS P49366 1/20 0.63
NR1H3 Q13133 1/20 0.63
NR1I3 Q14994 1/20 0.63

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
SCHEMBL7306371 1.00 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7302667 1.00 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7300043 0.89 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9423931 0.88 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7391382 0.88 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7388123 0.88 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1029522 0.87 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL795046 0.87 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9423662 0.87 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9424040 0.86 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed