SCHEMBL29047632

SCHEMBL29047632

COc1ccc(S(=O)(=O)Oc2ccccc2)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
ALDH1A1 P00352 6/20 0.45
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
LMNA P02545 4/20 0.42
NFE2L2 Q16236 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29047698 0.84 LMNA (0.43) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL29047615 0.82 SLC22A12 (0.39) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL16495095 0.81 GAA (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29047611 0.81 TDP1 (0.49) ERN1ALDH1A1LMNANFE2L2TDP1
SCHEMBL29047606 0.81 ALDH1A1 (0.43) ALDH1A1LMNANFE2L2TDP1PPARG
SCHEMBL11745047 0.79 ALDH1A1 (0.50) ALDH1A1TRIM24TRIM33LMNANFE2L2
SCHEMBL29047573 0.77 CA1 (0.40) ALDH1A1LMNANFE2L2HTTSMN1; SMN2
SCHEMBL8384637 0.76 ERN1 (0.59) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2795501 0.76 ERN1 (0.54) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29047589 0.76 ERN1 (0.47) ERN1ALDH1A1LMNAHTTSMN1; 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
CN-108947931-B Thiazole amide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海有机化学研究所 2023-07-07 CN disclosed