SCHEMBL6599079

SCHEMBL6599079

Cc1noc(NS(=O)(=O)c2ccsc2C(=O)N(C(=O)O)c2ccccc2)c1Br

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.80
EDNRB P24530 10/20 0.69

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
SCHEMBL4631820 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7224061 0.84 EDNRA (0.79) EDNRAEDNRB
SCHEMBL4663316 0.84 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631879 0.83 EDNRA (0.76) EDNRAEDNRB
SCHEMBL4632397 0.82 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631366 0.82 EDNRA (0.75) EDNRAEDNRB
SCHEMBL6151615 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631365 0.81 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631822 0.81 EDNRA (0.77) EDNRAEDNRB
SCHEMBL4631503 0.80 EDNRA (1.00) 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-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US claimed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
EP-1048657-A1 Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-02 EP disclosed