SCHEMBL7844663

SCHEMBL7844663

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)C=Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.54
EDNRA P25101 16/20 0.50
EDNRB P24530 3/20 0.49

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
SCHEMBL7844678 1.00 NFE2L2 (0.54) NFE2L2EDNRAEDNRB
SCHEMBL7839018 0.92 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7839020 0.92 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7843581 0.92 EDNRA (0.56) NFE2L2EDNRAEDNRB
SCHEMBL7843580 0.92 EDNRA (0.56) NFE2L2EDNRAEDNRB
SCHEMBL7841251 0.90 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7841250 0.90 EDNRA (0.48) EDNRAEDNRB
SCHEMBL5271700 0.89 EDNRA (0.52) EDNRAEDNRB
SCHEMBL5271698 0.89 EDNRA (0.52) EDNRAEDNRB
SCHEMBL7840829 0.87 EDNRA (0.50) NFE2L2EDNRAEDNRB

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 5 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
EP-1077954-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
US-6083955-A HAVING A HIGH AFFINITY FOR DRUGS, ESPECIALLY ENDOSERINE RECEPTORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
WO-1999059983-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0882719-A1 ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-09 EP disclosed