SCHEMBL1383307

SCHEMBL1383307

COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncccn1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.74
EDNRB P24530 16/20 0.74

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
SCHEMBL7838730 0.94 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7838729 0.94 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7844451 0.92 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7844454 0.92 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7840430 0.91 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7839347 0.91 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7839344 0.91 EDNRA (0.64) EDNRAEDNRB
SCHEMBL795168 0.91 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7843011 0.91 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7831360 0.91 EDNRA (0.73) 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 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