SCHEMBL8044523

SCHEMBL8044523

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45

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
SCHEMBL9089380 0.93 EDNRB (0.45) EDNRBEDNRA
SCHEMBL6771197 0.92 EDNRB (0.54) EDNRBEDNRA
SCHEMBL9089410 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9087795 0.87 EDNRA (0.40) EDNRBEDNRA
SCHEMBL4770889 0.87 EDNRB (0.40) EDNRBEDNRA
SCHEMBL6640800 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8044496 0.86 EDNRB (0.39) EDNRBEDNRA
SCHEMBL7947866 0.86 EDNRB (0.39) EDNRBEDNRA
SCHEMBL6771681 0.86 EDNRA (0.40) EDNRBEDNRA
SCHEMBL7956558 0.86 MAPT (0.41) 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
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