SCHEMBL7201189

SCHEMBL7201189

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(C)nc1OCCN

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.73
EDNRB P24530 17/20 0.73

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
SCHEMBL7200221 0.90 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7194130 0.88 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7196207 0.87 EDNRA (0.80) EDNRAEDNRB
SCHEMBL7196215 0.87 EDNRA (0.75) EDNRAEDNRB
SCHEMBL7196188 0.85 EDNRB (0.79) EDNRAEDNRB
SCHEMBL6784499 0.84 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6784030 0.84 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6780858 0.82 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6782742 0.81 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6783091 0.81 EDNRA (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed