SCHEMBL7857568

SCHEMBL7857568

C=Cc1cccc(S(=O)(=O)Nc2onc(C)c2C)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.55
EDNRB P24530 4/20 0.55

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
SCHEMBL7856781 0.89 EDNRB (0.57) EDNRAEDNRB
SCHEMBL7858762 0.84 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7857434 0.79 EDNRB (0.38) EDNRAEDNRB
SCHEMBL6771184 0.78 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6771735 0.74 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8786523 0.74 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7839143 0.71 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7857330 0.71 EDNRA (1.00) EDNRAEDNRB
SCHEMBL1390835 0.71 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7860462 0.71 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP claimed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP claimed
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed