SCHEMBL7860458

SCHEMBL7860458

CCc1ccc(Br)c(S(=O)(=O)Nc2onc(C)c2Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.79
EDNRB P24530 17/20 0.79

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
SCHEMBL7858842 0.89 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7857292 0.88 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7857280 0.86 EDNRA (0.63) EDNRAEDNRB
SCHEMBL9063034 0.84 EDNRB (0.91) EDNRAEDNRB
SCHEMBL7858770 0.80 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7716786 0.79 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7858816 0.77 EDNRB (0.79) EDNRAEDNRB
SCHEMBL7860475 0.76 EDNRB (0.82) EDNRAEDNRB
SCHEMBL7857521 0.76 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7856724 0.75 EDNRA (0.80) 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 6 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
US-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US claimed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP claimed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP claimed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO claimed
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed