SCHEMBL1386124

SCHEMBL1386124

Cc1ccc(-c2c(NS(=O)(=O)C=Cc3ccsc3)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.79
EDNRA P25101 7/20 0.79

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
SCHEMBL5764942 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL1386269 0.85 EDNRB (0.76) EDNRBEDNRA
SCHEMBL5764866 0.82 EDNRA (0.88) EDNRBEDNRA
SCHEMBL1383706 0.82 EDNRA (0.88) EDNRBEDNRA
SCHEMBL1384143 0.80 EDNRA (0.85) EDNRBEDNRA
SCHEMBL5097931 0.80 EDNRB (0.72) EDNRBEDNRA
SCHEMBL13747832 0.80 EDNRA (0.84) EDNRBEDNRA
SCHEMBL1386375 0.80 EDNRA (0.84) EDNRBEDNRA
SCHEMBL5497129 0.80 EDNRB (0.76) EDNRBEDNRA
SCHEMBL5632235 0.78 EDNRB (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4832706-B2 2011-12-07 JP claimed
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP claimed