SCHEMBL7842271

SCHEMBL7842271

COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2cccc3ccccc23)nc(-c2ncccn2)nc1OC

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.55
EDNRB P24530 4/20 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
SCHEMBL7842275 1.00 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7841251 0.90 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7841250 0.90 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7839898 0.89 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7839901 0.89 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7843580 0.88 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7843581 0.88 EDNRA (0.56) EDNRAEDNRB
Nebentan SCHEMBL5272299 0.86 EDNRA (0.59) EDNRAEDNRB
Nebentan SCHEMBL29372258 0.86 EDNRA (0.59) EDNRAEDNRB
Nebentan SCHEMBL5272291 0.86 EDNRA (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882719-B1 ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2001-05-16 EP disclosed
US-6083955-A HAVING A HIGH AFFINITY FOR DRUGS, ESPECIALLY ENDOSERINE RECEPTORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0882719-A1 ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-09 EP disclosed