SCHEMBL7857604

SCHEMBL7857604

Cc1noc(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1C

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.76
EDNRB P24530 9/20 0.76
MEN1 O00255 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA1A P35348 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL7857530 0.86 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL8784519 0.85 EDNRA (0.76) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7857285 0.83 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL8784088 0.81 EDNRA (0.74) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7951178 0.81 P2RY1 (0.64) MEN1CYP2C9TSHRCYP2C19KMT2A
SCHEMBL7949150 0.79 EDNRA (0.75) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7858808 0.79 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8784309 0.77 P2RY1 (0.63) MEN1KMT2A
SCHEMBL8784547 0.76 EDNRA (0.64) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL8784374 0.76 EDNRA (0.64) EDNRAEDNRBMEN1CYP2C9TSHR

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 2 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 disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed