SCHEMBL7989880

SCHEMBL7989880

CCc1cc(OC)ccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.82
EDNRB P24530 12/20 0.82

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
SCHEMBL4630724 0.94 EDNRA (0.79) EDNRAEDNRB
SCHEMBL4630639 0.91 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6152582 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631401 0.87 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7228902 0.85 EDNRA (0.84) EDNRAEDNRB
SCHEMBL4632375 0.84 EDNRA (0.79) EDNRAEDNRB
SCHEMBL4631835 0.84 EDNRA (0.75) EDNRAEDNRB
SCHEMBL4631405 0.82 EDNRA (0.84) EDNRAEDNRB
SCHEMBL4631898 0.82 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4631800 0.82 EDNRA (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed