SCHEMBL28879800

SCHEMBL28879800

CC(=O)c1ccc(CC=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 5/20 0.43
PYCR1 P32322 1/20 0.43
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B1 P14061 1/20 0.42
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 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
SCHEMBL1260786 0.83 KMT2A (0.64) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL11047626 0.79 KMT2A (0.59) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL195563 0.79 KMT2A (0.59) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL7609753 0.79 LOXL2 (0.59) KMT2ALMNAHSD17B10HPGDMAPT
SCHEMBL26327985 0.78 KMT2A (0.57) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL4101066 0.78 KMT2A (0.57) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL28879940 0.77 MAOB (0.47) KMT2ALMNARAB9AMAOBMAOA
SCHEMBL2642382 0.76 KMT2A (0.67) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL6859304 0.75 KMT2A (1.00) KMT2ALMNAHSD17B10L3MBTL1HPGD
SCHEMBL9818052 0.75 KMT2A (0.73) KMT2ALMNAHSD17B10L3MBTL1HPGD

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-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed