SCHEMBL28453084

SCHEMBL28453084

O=C(O)OCc1ccc(S)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28453082 0.84 KMT2A (0.45) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8209992 0.82 KMT2A (0.63) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL17083012 0.81 ALDH1A1 (0.64) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL436380 0.81 KMT2A (0.42) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL78553 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL30001820 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL23751425 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL1561073 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8197936 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL5369370 0.78 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1LMNA

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-111542345-A Chlorotoxins and uses thereof 卫材公司 2020-08-14 CN disclosed