SCHEMBL7582230

SCHEMBL7582230

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ccc(C(N)=O)cc2)nc1OCCO

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.86
EDNRB P24530 11/20 0.79
ABCC3 O15438 1/20 0.79
ABCC4 O15439 1/20 0.79
NR1I2 O75469 1/20 0.79
ABCB11 O95342 1/20 0.79
DHPS P49366 1/20 0.79
NR1H3 Q13133 1/20 0.79
NR1I3 Q14994 1/20 0.79

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
SCHEMBL7298083 0.93 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9423836 0.92 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6974318 0.90 EDNRA (0.89) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6959600 0.89 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6969621 0.89 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7949160 0.89 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL29485039 0.89 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL4218 0.89 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL902870 0.89 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.89 EDNRA (1.00) 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
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP claimed