SCHEMBL29004145

SCHEMBL29004145

CCCc1ccc(S(=O)(=O)Oc2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
KMT2A Q03164 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ALPI P09923 2/20 0.43
ENPP1 P22413 1/20 0.42
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
ALPL P05186 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6938283 0.80 KEAP1 (0.45) CA2KMT2ALMNAMEN1ALDH1A1
SCHEMBL11320357 0.77 TDP1 (0.46) CA2KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL27470390 0.74 CA12 (0.43) CA2KMT2AENPP1LMNARECQL
SCHEMBL28401028 0.73 CA12 (0.43) CA2KMT2AENPP1LMNARECQL
SCHEMBL27630650 0.73 CA2 (0.56) CA2KMT2AALPIENPP1LMNA
SCHEMBL27286890 0.72 CA12 (0.40) CA2ALPIALPLALDH1A1PKM
SCHEMBL8837781 0.72 TDP1 (0.57) CA2ALPIENPP1LMNAALPL
SCHEMBL11887245 0.71 CA2 (0.55) CA2KMT2AALPIENPP1LMNA
SCHEMBL12832558 0.71 CA2 (0.58) CA2KMT2AALPIENPP1LMNA
SCHEMBL27391100 0.71 CA12 (0.39) CA2ALPIALPLALDH1A1PKM

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-218841902-U Recovery plant of clopidogrel condensation mother liquor 浙江车头制药股份有限公司 2023-04-11 CN disclosed