SCHEMBL7571516

SCHEMBL7571516

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 2/20 0.58
SLC5A1 P13866 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
DDX3X O00571 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
MCL1 Q07820 1/20 0.50
IDH1 O75874 2/20 0.48
CYTH2 Q99418 1/20 0.48
PDE2A O00408 1/20 0.48

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
SCHEMBL7571583 0.90 MEN1 (0.63) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL3470566 0.83 SMN1; SMN2 (0.67) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL15647549 0.80 NFKBIA (0.61) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL7571585 0.77 ALDH1A1 (0.66) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL11973418 0.77 NFKBIA (1.00) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL7572373 0.77 L3MBTL1 (0.67) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL259390 0.76 MEN1 (0.66) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL13510391 0.76 HSD11B1 (0.62) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL7580117 0.75 LMNA (0.66) NFKBIARELASMN1; SMN2MAPTMEN1
SCHEMBL23832700 0.75 TSHR (0.58) NFKBIARELASMN1; SMN2MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed