SCHEMBL1384740

SCHEMBL1384740

COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2cccs2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 19/20 0.71
▸ EDNRA P25101 19/20 0.71

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
SCHEMBL1386681 0.93 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7831450 0.87 EDNRA (0.55) EDNRBEDNRA
SCHEMBL7831454 0.87 EDNRA (0.55) EDNRBEDNRA
SCHEMBL7483156 0.86 EDNRB (0.78) EDNRBEDNRA
SCHEMBL5493621 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL1383307 0.82 EDNRA (0.74) EDNRBEDNRA
SCHEMBL1386066 0.81 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7841108 0.81 EDNRA (0.48) EDNRBEDNRA
SCHEMBL7841111 0.81 EDNRA (0.48) EDNRBEDNRA
SCHEMBL14289233 0.81 EDNRB (1.00) 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
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