SCHEMBL22047765

SCHEMBL22047765

CN(C)C(=O)c1ccc(C2CCC(=O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ESR2 Q92731 2/20 0.45
HSD11B1 P28845 6/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
DDB1 Q16531 3/20 0.34
CRBN Q96SW2 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 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
SCHEMBL22048043 0.84 KDM4E (0.53) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22048061 0.82 ESR2 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22048083 0.81 KMT2A (0.53) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22048237 0.80 KDM4E (0.49) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL27994759 0.80 MAPK1 (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22048066 0.79 ESR2 (0.41) KDM4EL3MBTL1ESR2DDB1CRBN
SCHEMBL22048052 0.78 HSD11B1 (0.33) ESR2HSD11B1DDB1CRBNCNR2
SCHEMBL22048063 0.78 PSMB8 (0.37) ESR2HSD11B1DDB1CRBNCNR2
SCHEMBL744509 0.77 ESR2 (0.56) SMN1; SMN2ESR2HSD11B1PDE4APDE4B
SCHEMBL22048034 0.76 ESR2 (0.44) KDM4EGLAHTTKMT2ASMN1; SMN2

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
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed