SCHEMBL8044532

SCHEMBL8044532

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.36
EDNRB P24530 5/20 0.36

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
SCHEMBL7947790 0.94 EDNRA (0.35) EDNRAEDNRB
SCHEMBL9087795 0.89 EDNRA (0.40) EDNRAEDNRB
SCHEMBL7961387 0.88 POLB (0.39) EDNRAEDNRB
SCHEMBL6640800 0.87 EDNRB (0.41) EDNRAEDNRB
SCHEMBL8062314 0.87 EDNRB (0.38) EDNRAEDNRB
SCHEMBL7947233 0.86 EDNRB (0.37) EDNRAEDNRB
SCHEMBL6772610 0.86 EDNRB (0.39) EDNRAEDNRB
SCHEMBL6770266 0.85 EDNRB (0.39) EDNRAEDNRB
SCHEMBL6778008 0.85 EDNRB (0.40) EDNRAEDNRB
SCHEMBL6772130 0.84 TP53 (0.39) 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
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 US disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 EP disclosed