SCHEMBL7857445

SCHEMBL7857445

CCCCc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.89
EDNRA P25101 20/20 0.89

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
SCHEMBL7858787 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7858649 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7858653 0.89 EDNRA (0.71) EDNRBEDNRA
SCHEMBL7856769 0.84 EDNRB (0.81) EDNRBEDNRA
SCHEMBL7856724 0.83 EDNRA (0.80) EDNRBEDNRA
SCHEMBL7849835 0.82 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7858816 0.81 EDNRB (0.79) EDNRBEDNRA
SCHEMBL7716786 0.80 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7222781 0.78 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7714781 0.78 EDNRA (0.69) 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 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