SCHEMBL28705151

SCHEMBL28705151

CCOC(=O)c1nccn1CC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PLAA Q9Y263 2/20 0.45
ALPG P10696 3/20 0.44
NOS1 P29475 1/20 0.44
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 2/20 0.43
ALPI P09923 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MYLK Q15746 1/20 0.42
GFER P55789 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL13031578 0.83 ALDH1A1 (0.40) POLBNPC1ALDH1A1MAPT
SCHEMBL1774579 0.83 MAPT (0.47) KMT2AMEN1NPC1MAPT
Hydrochloric Acid SCHEMBL1774577 0.82 MAPT (0.46) KMT2AMEN1NPC1MAPT
SCHEMBL28710511 0.82 POLB (0.51) KMT2AMEN1PLAAALPGNOS1
SCHEMBL1593910 0.81 SMN1; SMN2 (0.55) POLBNPC1ALDH1A1MAPT
SCHEMBL18839661 0.81 L3MBTL1 (0.45) KMT2AMEN1NPC1HTTALDH1A1
SCHEMBL30554042 0.79 KDM4E (0.40) NPC1ALDH1A1MAPT
SCHEMBL27001672 0.79 POLB (0.49) KMT2AMEN1PLAAALPGNOS1
SCHEMBL4926204 0.79 NOS1 (0.66) KMT2AMEN1PLAAALPGNOS1
SCHEMBL12706154 0.78 LPO (0.42) KMT2AALDH1A1MAPT

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-114230522-A Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof 四川大学 2022-03-25 CN disclosed