SCHEMBL8568463

SCHEMBL8568463

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.53
EDNRB P24530 9/20 0.53

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
SCHEMBL8351866 0.93 EDNRA (0.50) EDNRAEDNRB
SCHEMBL8568832 0.91 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8566947 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8572868 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6640800 0.89 EDNRB (0.41) EDNRAEDNRB
SCHEMBL6638834 0.89 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6642156 0.88 EDNRA (0.39) EDNRAEDNRB
SCHEMBL6778008 0.87 EDNRB (0.40) EDNRAEDNRB
SCHEMBL6770266 0.87 EDNRB (0.39) EDNRAEDNRB
SCHEMBL8573107 0.87 EDNRA (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
US-5760038-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-02 US disclosed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP disclosed