SCHEMBL28577331

SCHEMBL28577331

COc1c(N2CC3CCCN(C)C3C2)c(F)cc2c(=O)c(C(=O)C=Cc3ccccc3)cn(C3CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
HPGD P15428 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
GSK3B P49841 1/20 0.43

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
SCHEMBL28577329 1.00 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28564185 0.94 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28564184 0.94 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28564212 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28566508 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28569578 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28569581 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28564210 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28566510 0.94 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28571953 0.93 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10MEN1

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-112824407-A N-methylmoxifloxacin propenone derivative and preparation method and application thereof 河南大学 2021-05-21 CN disclosed