SCHEMBL7503358

SCHEMBL7503358

[CH2]COc1nc(-c2ccnc(-c3nnn[nH]3)c2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.69
EDNRB P24530 19/20 0.69

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
SCHEMBL7974161 0.93 EDNRA (0.66) EDNRAEDNRB
Tezosentan SCHEMBL4524 0.93 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL29409604 0.93 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL387772 0.92 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL1230886 0.92 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL6963555 0.92 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7962811 0.92 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7979441 0.91 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7084660 0.90 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6964739 0.89 EDNRA (0.67) 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 2 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 disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed