SCHEMBL1386375

SCHEMBL1386375

O=S(=O)(C=Cc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.84
EDNRB P24530 17/20 0.84
SLC6A2 P23975 1/20 0.54
TSPO P30536 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL13747832 1.00 EDNRA (0.84) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5764866 0.94 EDNRA (0.88) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1383706 0.94 EDNRA (0.88) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5764942 0.91 EDNRB (1.00) EDNRAEDNRB
SCHEMBL1384143 0.89 EDNRA (0.85) EDNRAEDNRB
SCHEMBL5632084 0.81 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5501162 0.81 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380520 0.81 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1386124 0.80 EDNRB (0.79) EDNRAEDNRB
SCHEMBL1386650 0.80 EDNRB (0.79) EDNRAEDNRBSLC6A2TSPODRD3

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