SCHEMBL7844451

SCHEMBL7844451

CCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)/C=C/c2ccccc2)c1Oc1ccccc1OC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.64
EDNRB P24530 9/20 0.62

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
SCHEMBL7844454 1.00 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7838730 0.93 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7838729 0.93 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7842747 0.93 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7842748 0.93 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7839344 0.92 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7839347 0.92 EDNRA (0.64) EDNRAEDNRB
SCHEMBL1383307 0.92 EDNRA (0.74) EDNRAEDNRB
SCHEMBL795168 0.92 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7840430 0.92 EDNRA (0.74) 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