SCHEMBL6966531

SCHEMBL6966531

CCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.48
EDNRA P25101 19/20 0.48

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
SCHEMBL6957080 0.94 EDNRB (0.49) EDNRBEDNRA
SCHEMBL6640307 0.90 EDNRA (0.48) EDNRBEDNRA
SCHEMBL6639043 0.87 EDNRA (0.54) EDNRBEDNRA
SCHEMBL6644923 0.87 EDNRA (0.46) EDNRBEDNRA
SCHEMBL6644381 0.84 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6644378 0.84 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6645856 0.84 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6644386 0.83 EDNRA (0.51) EDNRBEDNRA
SCHEMBL6643555 0.83 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6968725 0.81 EDNRA (0.47) 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 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 disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP disclosed