SCHEMBL6965654

SCHEMBL6965654

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2cccc(-c3nnn[nH]3)n2)nc1OCCO

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.71
EDNRB P24530 11/20 0.70
ABCC3 O15438 1/20 0.70
ABCC4 O15439 1/20 0.70
NR1I2 O75469 1/20 0.70
ABCB11 O95342 1/20 0.70
DHPS P49366 1/20 0.70
NR1H3 Q13133 1/20 0.70
NR1I3 Q14994 1/20 0.70

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
SCHEMBL14201214 0.92 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6972115 0.91 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6960564 0.90 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6956647 0.90 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13255014 0.90 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6967881 0.85 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6971951 0.85 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7298083 0.84 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.83 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL902870 0.83 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US claimed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed