SCHEMBL6960832

SCHEMBL6960832

CNC(=O)NCc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.85
EDNRB P24530 18/20 0.85

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
SCHEMBL6641579 0.92 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6960529 0.92 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6953873 0.92 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6641926 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6637541 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6641023 0.91 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6639397 0.90 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6641874 0.90 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6638815 0.89 EDNRA (0.83) EDNRAEDNRB
SCHEMBL6638782 0.89 EDNRA (0.88) 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-0702012-B1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL MYERS SQUIBB CO (US) 2003-10-15 EP claimed
EP-0702012-B1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL MYERS SQUIBB CO (US) 2003-10-15 EP disclosed