SCHEMBL6972165

SCHEMBL6972165

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(-c3cc[n+]([O-])cc3)nc2OCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.55
EDNRB P24530 18/20 0.55

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
SCHEMBL6973178 0.89 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6583682 0.87 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6963227 0.86 EDNRA (0.58) EDNRAEDNRB
SCHEMBL6960008 0.85 EDNRA (0.47) EDNRAEDNRB
SCHEMBL7846863 0.85 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6956122 0.84 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6974941 0.82 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7849591 0.82 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7841308 0.80 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6961452 0.79 EDNRA (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 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
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