SCHEMBL27799043

SCHEMBL27799043

CC(=O)OCCn1c(=O)c(C)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 2/20 0.61
MMP2 P08253 8/20 0.56
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.52
HRH1 P35367 1/20 0.52
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL13587967 0.85 LMNA (0.57) KDM4EALDH1A1HRH1LMNAPKM
SCHEMBL501463 0.82 HPGD (0.69) KDM4EALDH1A1HRH1POLBLMNA
SCHEMBL1122732 0.80 KDM4E (0.62) KDM4EALDH1A1MMP2ATML3MBTL1
SCHEMBL9318535 0.78 ALDH1A1 (0.60) KDM4EALDH1A1MMP2ATML3MBTL1
SCHEMBL5936613 0.78 PIN1 (0.60) KDM4EALDH1A1MMP2HRH1MAPK1
SCHEMBL21788585 0.77 MMP2 (0.60) KDM4EALDH1A1MMP2ATML3MBTL1
SCHEMBL28512227 0.77 KDM4E (0.64) KDM4EALDH1A1KMT2AHRH1MAPK1
SCHEMBL28287010 0.77 KDM4E (0.78) KDM4EALDH1A1MMP2KMT2AMAPK1
SCHEMBL3829770 0.76 TSHR (0.64) KDM4EALDH1A1ATML3MBTL1KMT2A
SCHEMBL27799061 0.76 KDM4E (0.72) KDM4EALDH1A1MMP2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101701032-B Quinoxalinone low molecular weight peptide derivative with matrix metalloproteinases inhibition function and preparation method and application thereof UNIV SHANDONG 2014-05-07 CN disclosed
CN-101704792-A Quinoxalinone derivative with matrix metalloproteinase inhibitory activity and preparation method and application thereof UNIV SHANDONG 2010-05-12 CN disclosed
CN-101701032-A Quinoxalinone low molecular weight peptide derivative with matrix metalloproteinases inhibition function and preparation method and application thereof UNIV SHANDONG 2010-05-05 CN disclosed