SCHEMBL6967572

SCHEMBL6967572

COc1ccc(S(=O)(=O)Nc2nc(-c3ccnc(-c4nnn[nH]4)c3)nc(OCCOC(=O)Nc3ccccn3)c2Oc2ccccc2OC)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.62
EDNRA P25101 20/20 0.62

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
SCHEMBL6970046 0.96 EDNRA (0.63) EDNRBEDNRA
SCHEMBL6957248 0.95 EDNRA (0.63) EDNRBEDNRA
SCHEMBL6971944 0.94 EDNRA (0.73) EDNRBEDNRA
SCHEMBL6973017 0.94 EDNRA (0.61) EDNRBEDNRA
SCHEMBL6960422 0.93 EDNRA (0.58) EDNRBEDNRA
SCHEMBL6966678 0.93 EDNRB (0.57) EDNRBEDNRA
SCHEMBL6960269 0.91 EDNRA (0.74) EDNRBEDNRA
SCHEMBL6968227 0.90 EDNRA (0.76) EDNRBEDNRA
SCHEMBL6962806 0.88 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6961007 0.85 EDNRA (0.48) EDNRBEDNRA

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