SCHEMBL9423988

SCHEMBL9423988

COc1cc(C)ccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)ncnc1OCCO

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.62
EDNRB P24530 10/20 0.59
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
DHPS P49366 1/20 0.46
NR1H3 Q13133 1/20 0.46
NR1I3 Q14994 1/20 0.46

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
SCHEMBL7299653 0.89 EDNRA (0.77) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7294919 0.88 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7296548 0.87 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7301924 0.82 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7302650 0.81 EDNRA (0.58) EDNRAEDNRB
SCHEMBL9423450 0.81 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7305577 0.80 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7297522 0.79 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9046770 0.79 EDNRA (0.75) EDNRAEDNRB
SCHEMBL7299432 0.79 EDNRA (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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