SCHEMBL29857066

SCHEMBL29857066

CN(C)C(=O)c1c[nH]c(=O)cc1-c1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KEAP1 Q14145 1/20 0.40
BAZ2B Q9UIF8 4/20 0.39
BAZ2A Q9UIF9 4/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSK3B P49841 1/20 0.36
USP19 O94966 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NHERF1 O14745 1/20 0.34
HCRTR1 O43613 1/20 0.34
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL22032380 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1KEAP1NPC1
SCHEMBL29857111 0.81 POLB (0.44) SMN1; SMN2KMT2AMEN1KEAP1NPC1
Hydrochloric Acid SCHEMBL28822255 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AMEN1KEAP1NPC1
SCHEMBL29856994 0.80 PRKAB2 (0.43) SMN1; SMN2KMT2AMEN1KEAP1BAZ2B
SCHEMBL29856819 0.76 LRRK2 (0.45) SMN1; SMN2KMT2AMEN1KEAP1BAZ2B
SCHEMBL5255270 0.76 MEN1 (0.56) SMN1; SMN2KMT2AMEN1KEAP1NPC1
SCHEMBL19815443 0.70 CHEK2 (0.46) SMN1; SMN2KMT2AMEN1GSK3B
SCHEMBL15655702 0.69 MEN1 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL29856974 0.69 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1USP19ALDH1A1
SCHEMBL29856937 0.69 MEN1 (0.42) SMN1; SMN2KMT2AMEN1USP19ALDH1A1

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-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 CN disclosed