SCHEMBL8272196

SCHEMBL8272196

CCOC(=O)CN(c1ccc(Cl)cc1C(O)c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
FDFT1 P37268 6/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8272848 0.92 PKM (0.44) MAPTTHRBHCRTR1HCRTR2PKM
SCHEMBL8272193 0.85 FDFT1 (0.47) TP53MAPTTHRBPKMALDH1A1
SCHEMBL3250468 0.84 PKM (0.57) HCRTR1HCRTR2PKMALDH1A1MCOLN3
SCHEMBL8275041 0.83 KEAP1 (0.38) TP53MAPTTHRBHCRTR2ALDH1A1
SCHEMBL8272847 0.82 FDFT1 (0.41) PKMFDFT1KEAP1NFE2L2
SCHEMBL3252908 0.80 FDFT1 (0.47) TP53MAPTTHRBHCRTR1HCRTR2
SCHEMBL3253770 0.79 THRB (0.50) TP53MAPTTHRBALDH1A1MCOLN3
SCHEMBL3255566 0.78 PKM (0.59) HCRTR1HCRTR2PKMALDH1A1MCOLN3
SCHEMBL8272192 0.78 FDFT1 (0.40) FDFT1
SCHEMBL3250958 0.77 PKM (0.57) HCRTR1HCRTR2PKMALDH1A1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006024779-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-03-09 WO disclosed