SCHEMBL8785707

SCHEMBL8785707

Cc1noc(NS(=O)(=O)c2cccc3c(NC(=O)CCCBr)cccc23)c1C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.71
EDNRB P24530 1/20 0.56

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
SCHEMBL8784966 0.97 EDNRA (0.70) EDNRA
SCHEMBL9284343 0.91 EDNRA (0.73) EDNRA
SCHEMBL9256470 0.87 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8785104 0.84 EDNRA (1.00) EDNRA
SCHEMBL9258136 0.82 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7951110 0.81 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7947142 0.80 EDNRA (0.77) EDNRAEDNRB
SCHEMBL8787204 0.80 EDNRA (0.67) EDNRA
SCHEMBL8784559 0.78 EDNRA (0.71) EDNRAEDNRB
SCHEMBL9258558 0.78 EDNRA (0.73) 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-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed