SCHEMBL7857563

SCHEMBL7857563

Cc1noc(NS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.51
EDNRB P24530 10/20 0.51
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7849759 1.00 EDNRA (0.51) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7856775 0.89 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7856725 0.80 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7856744 0.79 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7857431 0.79 CYP19A1 (0.39) MEN1KMT2A
SCHEMBL6771184 0.77 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7858322 0.74 EDNRA (0.53) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL6771735 0.74 EDNRA (0.67) EDNRAEDNRB
SCHEMBL20699838 0.71 MAPT (0.57) MEN1KMT2A
SCHEMBL22529451 0.71 MAPK1 (0.50) EDNRAEDNRBMEN1KMT2A

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