SCHEMBL28902259

SCHEMBL28902259

Nc1ccc(S(=O)(=O)c2ccc(N)c(O)c2O)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
CDC25B P30305 1/20 0.44
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPT P10636 2/20 0.39
NR4A1 P22736 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
NQO1 P15559 1/20 0.36
THRB P10828 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HTR6 P50406 2/20 0.34
MMP2 P08253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL8003877 0.84 HTR6 (0.54) GAAMAPTCA12CA1CA2
SCHEMBL27800252 0.84 AURKA (0.50) GAACDC25BAURKAAURKBMAPT
SCHEMBL564728 0.79 GAA (0.60) GAACDC25BAURKAAURKBMAPT
SCHEMBL11774960 0.76 ALOX15 (0.45) GAAMAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL2114395 0.75 SELL (0.41) GAAMAPTCSNK2A2CSNK2BCSNK2A1
Lithium SCHEMBL31019597 0.73 ALOX15 (0.43) GAAMAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL6735347 0.70 CA1 (0.41) GAACDC25BMAPTCA12CA1
SCHEMBL8852806 0.70 HTR6 (0.56) GAAHTR6ALDH1A1PKMKDM4E
SCHEMBL11051793 0.70 AURKA (0.46) GAAAURKAAURKBMAPTNR4A1
SCHEMBL5156069 0.70 GAA (0.48) GAACDC25BMAPTCA12CA1

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
CN-110050013-B Method for producing release layer 日产化学株式会社 2022-11-29 CN disclosed