SCHEMBL7435840

SCHEMBL7435840

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc[nH]c(=O)c2)nc1OCCO

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.72
EDNRB P24530 19/20 0.72

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
SCHEMBL7440264 0.91 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7841308 0.88 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7849626 0.88 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7892848 0.87 EDNRA (0.63) EDNRAEDNRB
SCHEMBL6585231 0.85 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7446457 0.85 EDNRA (0.65) EDNRAEDNRB
SCHEMBL6583682 0.85 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5035173 0.85 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7849058 0.85 EDNRA (0.68) EDNRAEDNRB
Tezosentan SCHEMBL4525 0.84 EDNRA (1.00) 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