SCHEMBL6587895

SCHEMBL6587895

Cc1noc(NS(=O)(=O)c2sccc2CC=Cc2cc3c(cc2COC2CCCCO2)OCO3)c1Br

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.68
EDNRA P25101 20/20 0.68

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
SCHEMBL6587891 1.00 EDNRB (0.68) EDNRBEDNRA
SCHEMBL6151675 0.84 EDNRB (0.83) EDNRBEDNRA
SCHEMBL6151677 0.84 EDNRB (0.83) EDNRBEDNRA
SCHEMBL4631444 0.83 EDNRB (0.80) EDNRBEDNRA
SCHEMBL4631448 0.83 EDNRB (0.80) EDNRBEDNRA
SCHEMBL4632066 0.75 EDNRA (0.69) EDNRBEDNRA
SCHEMBL4632061 0.75 EDNRA (0.69) EDNRBEDNRA
SCHEMBL4632361 0.74 EDNRB (0.79) EDNRBEDNRA
SCHEMBL4631487 0.74 EDNRA (1.00) EDNRBEDNRA
SCHEMBL6151109 0.73 EDNRA (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed