SCHEMBL11529072

SCHEMBL11529072

CC(C)(C)c1cc(S(=O)(=O)NN)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
MAPT P10636 2/20 0.41
HPN P05981 1/20 0.41

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
SCHEMBL11525085 0.86 ACHE (0.48) CA2CA1CYP1A2ALDH1A1GAA
SCHEMBL8768792 0.79 CA2 (0.52) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL11528792 0.78 GAA (0.42) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL13522250 0.78 CA2 (0.56) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL6858911 0.76 CA2 (0.54) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4710701 0.76 CA2 (0.54) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1962153 0.76 CA2 (0.54) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL25385967 0.75 CA2 (0.52) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4894218 0.75 CA2 (0.52) CA2CA1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1960304 0.75 CA2 (0.52) CA2CA1CYP1A2ALDH1A1SMN1; SMN2

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
US-4164611-A ALSO ACT AS HEAT AND OXIDATION STABILIZER CIBA-GEIGY CORPORATION (US) 1979-08-14 US disclosed