SCHEMBL6151664

SCHEMBL6151664

Cc1ccc(OCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 1.00
EDNRA P25101 20/20 1.00

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
SCHEMBL6150886 0.89 EDNRA (1.00) EDNRBEDNRA
SCHEMBL4631418 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6151279 0.85 EDNRA (1.00) EDNRBEDNRA
SCHEMBL6151714 0.85 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6151304 0.81 EDNRA (1.00) EDNRBEDNRA
SCHEMBL4632361 0.81 EDNRB (0.79) EDNRBEDNRA
SCHEMBL4632359 0.81 EDNRB (0.79) EDNRBEDNRA
M-Xylene SCHEMBL27466195 0.80 EDNRA (0.73) EDNRBEDNRA
SCHEMBL4632010 0.80 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6151107 0.80 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US claimed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed