SCHEMBL7579848

SCHEMBL7579848

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
MAPT P10636 5/20 0.50
UQCRB P14927 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B2 P37059 1/20 0.50
CCR2 P41597 1/20 0.47
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PGR P06401 1/20 0.46
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7579231 0.83 GAA (0.54) GAAMAPTUQCRBHTTMEN1
SCHEMBL7572310 0.83 ALDH1A1 (0.66) GAAMAPTUQCRBHTTMEN1
SCHEMBL7570770 0.83 GAA (0.61) GAAMAPTUQCRBHTTMEN1
SCHEMBL7588944 0.82 ALDH1A1 (0.56) GAAMAPTMEN1KMT2ACCR2
SCHEMBL7570694 0.81 FFAR4 (0.48) GAAMAPTUQCRBHTTMEN1
SCHEMBL7570701 0.78 PTGES2 (0.60) GAAMAPTUQCRBHTTMEN1
SCHEMBL7572304 0.78 PTGES2 (0.60) GAAMAPTHTTMEN1KMT2A
SCHEMBL23555160 0.77 ALDH1A1 (0.71) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL7175064 0.77 HSD17B2 (0.67) MAPTUQCRBHTTKMT2AHSD17B2
SCHEMBL7572140 0.77 RECQL (0.69) GAAMAPTHTTMEN1KMT2A

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