SCHEMBL7830604

SCHEMBL7830604

COc1ccccc1Oc1c(NS(=O)(=O)/C=C/c2ccccc2)nc(-c2cccnc2)nc1OC

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.55
EDNRB P24530 10/20 0.55
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.46

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
SCHEMBL7830607 1.00 EDNRA (0.55) EDNRAEDNRBALDH1A1MEN1GAA
SCHEMBL7840779 0.92 EDNRA (0.54) EDNRAEDNRBALDH1A1HTT
SCHEMBL7840776 0.92 EDNRA (0.54) EDNRAEDNRBALDH1A1HTT
SCHEMBL7843522 0.90 ALDH1A1 (0.46) EDNRAEDNRBALDH1A1MEN1GAA
SCHEMBL7843519 0.90 ALDH1A1 (0.46) EDNRAEDNRBALDH1A1MEN1GAA
SCHEMBL7844692 0.90 EDNRA (0.62) EDNRAEDNRBALDH1A1HTT
SCHEMBL7844690 0.90 EDNRA (0.62) EDNRAEDNRBALDH1A1HTT
SCHEMBL7840594 0.87 EDNRA (0.50) EDNRAEDNRBALDH1A1HTT
SCHEMBL7840592 0.87 EDNRA (0.50) EDNRAEDNRBALDH1A1HTT
SCHEMBL7842086 0.86 EDNRA (0.49) EDNRAEDNRBALDH1A1HTT

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