SCHEMBL6584905

SCHEMBL6584905

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cc[n+]([O-])cc2)nc1OCCO

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.69
EDNRB P24530 15/20 0.69

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
SCHEMBL6583682 0.91 EDNRA (0.69) EDNRAEDNRB
SCHEMBL25637066 0.90 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6961425 0.90 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7840722 0.88 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6961199 0.87 EDNRA (0.76) EDNRAEDNRB
SCHEMBL5035301 0.86 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6960620 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6970783 0.85 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7440264 0.85 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6960041 0.84 EDNRA (0.67) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US claimed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP 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
WO-2023111299-A1 CLAZOSENTAN DISODIUM SALT, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 WO disclosed
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
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-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP 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