SCHEMBL7839633

SCHEMBL7839633

COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.50
EDNRB P24530 10/20 0.50
DHPS P49366 7/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7839629 1.00 EDNRA (0.50) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7844686 0.94 DHPS (0.54) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7844683 0.94 DHPS (0.54) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7843519 0.90 ALDH1A1 (0.46) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7843522 0.90 ALDH1A1 (0.46) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7844692 0.90 EDNRA (0.62) EDNRAEDNRBALDH1A1HTT
SCHEMBL7844690 0.90 EDNRA (0.62) EDNRAEDNRBALDH1A1HTT
SCHEMBL7842387 0.89 DHPS (0.47) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7842383 0.89 DHPS (0.47) EDNRAEDNRBDHPSALDH1A1HTT
SCHEMBL7840232 0.89 ALDH1A1 (0.47) EDNRAEDNRBDHPSALDH1A1HTT

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