SCHEMBL4070738

SCHEMBL4070738

Cc1ccc(-c2c(NS(=O)(=O)CCc3ccccc3)nc(-c3ncccn3)nc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.68
EDNRB P24530 16/20 0.68

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
SCHEMBL4068362 0.85 EDNRB (0.75) EDNRAEDNRB
SCHEMBL1386495 0.83 EDNRB (0.75) EDNRAEDNRB
SCHEMBL8801739 0.80 EDNRB (0.73) EDNRAEDNRB
SCHEMBL1386066 0.77 EDNRB (0.58) EDNRAEDNRB
SCHEMBL4061155 0.76 EDNRB (0.44) EDNRAEDNRB
SCHEMBL1385518 0.75 EDNRB (0.73) EDNRAEDNRB
SCHEMBL5501326 0.73 EDNRB (0.89) EDNRAEDNRB
SCHEMBL4061152 0.73 EDNRB (0.45) EDNRAEDNRB
SCHEMBL4057566 0.73 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4070379 0.73 EDNRA (1.00) 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
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP claimed