SCHEMBL7446946

SCHEMBL7446946

[CH2]COc1nc(-c2ccnc(-c3nnn[nH]3)c2)nc(NS(=O)(=O)c2cccnc2)c1Oc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.54
EDNRB P24530 17/20 0.54

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
SCHEMBL6960742 0.93 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7451300 0.90 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7080353 0.90 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7503358 0.86 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7503704 0.86 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6969968 0.86 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7085774 0.86 EDNRA (0.50) EDNRAEDNRB
SCHEMBL6960422 0.86 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7601471 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6962806 0.84 EDNRA (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO 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