SCHEMBL7579231

SCHEMBL7579231

CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(O)c2NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 1/20 0.54
UQCRB P14927 2/20 0.54
HSD17B2 P37059 1/20 0.54
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOD2 Q9HC29 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DDX3X O00571 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2B Q92831 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
SCHEMBL7572310 0.87 ALDH1A1 (0.66) GAAMAPTHTTMEN1MAPK1
SCHEMBL7570770 0.87 GAA (0.61) GAAMAPTHTTMEN1MAPK1
SCHEMBL7579848 0.83 GAA (0.50) GAAMAPTHTTMEN1MAPK1
SCHEMBL7570701 0.82 PTGES2 (0.60) GAAMAPTHTTMEN1MAPK1
SCHEMBL7572304 0.79 PTGES2 (0.60) GAAMAPTHTTMEN1MAPK1
SCHEMBL7574025 0.79 FFAR4 (0.56) GAAMAPTHTTMEN1MAPK1
SCHEMBL23057258 0.75 ALDH1A1 (0.73) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL7176595 0.74 ALDH1A1 (0.66) GAAMAPTHTTMEN1MAPK1
SCHEMBL6807397 0.74 KMT2A (0.61) GAAMAPTHTTMEN1MAPK1
SCHEMBL7578819 0.74 MEN1 (0.63) GAAMEN1KMT2AHSD17B2ALDH1A1

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