SCHEMBL6963227

SCHEMBL6963227

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(-c3ccnc(C#N)c3)nc2OCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.58
EDNRB P24530 18/20 0.58

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
SCHEMBL6585231 0.89 EDNRA (0.73) EDNRAEDNRB
SCHEMBL6972165 0.86 EDNRA (0.55) EDNRAEDNRB
SCHEMBL6974941 0.85 EDNRA (0.64) EDNRAEDNRB
SCHEMBL6957198 0.85 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7846863 0.83 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6971611 0.83 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6973418 0.83 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7849591 0.81 EDNRA (0.71) EDNRAEDNRB
SCHEMBL6583028 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL30466189 0.80 EDNRA (0.72) 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 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