SCHEMBL6960269

SCHEMBL6960269

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.74
EDNRB P24530 19/20 0.74

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
SCHEMBL6968227 0.93 EDNRA (0.76) EDNRAEDNRB
SCHEMBL6957248 0.93 EDNRA (0.63) EDNRAEDNRB
SCHEMBL6970046 0.91 EDNRA (0.63) EDNRAEDNRB
SCHEMBL31656331 0.91 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6967572 0.91 EDNRB (0.62) EDNRAEDNRB
SCHEMBL6960422 0.90 EDNRA (0.58) EDNRAEDNRB
Clazosentan SCHEMBL1983603 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29379450 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29581324 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL6974621 0.88 EDNRA (0.78) 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 7 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