SCHEMBL7857451

SCHEMBL7857451

Cc1noc(NS(=O)(=O)c2cccc3c2sc2ccccc23)c1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.67
EDNRB P24530 4/20 0.67
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL7860466 0.89 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7849770 0.80 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL6151572 0.80 EDNRA (0.58) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL8674786 0.76 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6771300 0.76 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7946125 0.76 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7947142 0.76 EDNRA (0.77) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7939667 0.76 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7858820 0.76 EDNRA (0.79) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL6767337 0.75 EDNRA (0.76) 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 7 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
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed