SCHEMBL28496005

SCHEMBL28496005

CC(=O)c1ccc(OCS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
HSD11B1 P28845 1/20 0.52
GAA P10253 1/20 0.51
MAOA P21397 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
STS P08842 1/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 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
SCHEMBL6915896 0.81 PSIP1 (0.52) MAPTALDH1A1HTTHSD11B1GAA
SCHEMBL28504177 0.78 L3MBTL1 (0.61) MAOBL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL10911366 0.77 TDP1 (0.56) MAPTSMN1; SMN2ALDH1A1HTTHSD11B1
SCHEMBL5289695 0.76 L3MBTL1 (0.75) MAOBL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL687294 0.76 KMT2A (0.72) MAOBMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL11741469 0.75 L3MBTL1 (0.79) MAOBL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL5282996 0.75 L3MBTL1 (0.85) MAOBL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL27518404 0.74 MAOB (0.85) MAOBL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL42302 0.73 MAOB (1.00) MAOBL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL9030917 0.73 PSIP1 (0.44) MAPTALDH1A1HSD11B1POLBKMT2A

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
CN-112174793-B Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2023-03-28 CN disclosed
CN-112174793-A Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2021-01-05 CN disclosed