SCHEMBL28409790

SCHEMBL28409790

COC(N)CC(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 2/20 0.55
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.51
TACR1 P25103 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN9A Q15858 1/20 0.50

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
SCHEMBL15514213 0.82 KMT2A (0.63) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL27963512 0.81 KMT2A (0.55) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL27963510 0.81 PLA2G1B (0.58) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL464952 0.81 KMT2A (0.51) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL5549476 0.81 KMT2A (0.51) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL28279974 0.80 GAA (0.58) KMT2AMEN1HPGDGAAALDH1A1
SCHEMBL15514566 0.79 MEN1 (0.56) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL15514683 0.79 MEN1 (0.60) KMT2AMEN1HPGDPLA2G1BATG4B
SCHEMBL1768747 0.79 SLC1A1 (0.67) KMT2AMEN1HPGDGAAALDH1A1
SCHEMBL1768744 0.79 SLC1A1 (0.67) KMT2AMEN1HPGDGAAALDH1A1

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-111269140-A Preparation method of lacosamide 上海奥博生物医药技术有限公司 2020-06-12 CN disclosed