SCHEMBL4068362

SCHEMBL4068362

Cc1ccc(-c2c(NS(=O)(=O)CCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.75
EDNRA P25101 10/20 0.75

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
SCHEMBL5501326 0.88 EDNRB (0.89) EDNRBEDNRA
SCHEMBL5497129 0.87 EDNRB (0.76) EDNRBEDNRA
SCHEMBL4070738 0.85 EDNRA (0.68) EDNRBEDNRA
SCHEMBL5097931 0.84 EDNRB (0.72) EDNRBEDNRA
SCHEMBL5494210 0.82 EDNRA (1.00) EDNRBEDNRA
SCHEMBL5764942 0.81 EDNRB (1.00) EDNRBEDNRA
SCHEMBL5632235 0.81 EDNRB (0.74) EDNRBEDNRA
SCHEMBL5500351 0.81 EDNRA (0.86) EDNRBEDNRA
SCHEMBL8802029 0.81 EDNRB (0.84) EDNRBEDNRA
SCHEMBL5497920 0.80 EDNRA (0.87) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP claimed