SCHEMBL28453082

SCHEMBL28453082

O=C(OCc1ccc(S)cc1)OCc1ccc(S)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL28453084 0.84 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL436380 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL17083012 0.83 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2756749 0.79 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL12291924 0.78 TOP2A (0.49) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL11572593 0.77 CYP3A4 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL1788919 0.77 KDM4E (0.53) KMT2AMEN1L3MBTL1LMNAKDM4E
SCHEMBL932927 0.77 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL1790469 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL6646548 0.77 AGXT (0.52) ALDH1A1LMNA

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