SCHEMBL7844686

SCHEMBL7844686

COc1ccccc1Oc1c(Cl)nc(-c2ccccc2)nc1NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHPS P49366 12/20 0.54
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
EDNRA P25101 4/20 0.44
LMNA P02545 1/20 0.43
EDNRB P24530 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL7844683 1.00 DHPS (0.54) DHPSALDH1A1HTTEDNRALMNA
SCHEMBL7839633 0.94 EDNRA (0.50) DHPSALDH1A1HTTEDNRAEDNRB
SCHEMBL7839629 0.94 EDNRA (0.50) DHPSALDH1A1HTTEDNRAEDNRB
SCHEMBL7840230 0.92 ALDH1A1 (0.47) DHPSALDH1A1HTTEDNRALMNA
SCHEMBL7840232 0.92 ALDH1A1 (0.47) DHPSALDH1A1HTTEDNRALMNA
SCHEMBL7842133 0.92 DHPS (0.57) DHPSALDH1A1HTTLMNASCN9A
SCHEMBL7843519 0.92 ALDH1A1 (0.46) DHPSALDH1A1HTTEDNRALMNA
SCHEMBL7842129 0.92 DHPS (0.57) DHPSALDH1A1HTTLMNASCN9A
SCHEMBL7843522 0.92 ALDH1A1 (0.46) DHPSALDH1A1HTTEDNRALMNA
SCHEMBL7839120 0.92 DHPS (0.47) DHPSALDH1A1HTTEDNRALMNA

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