SCHEMBL14020146

SCHEMBL14020146

COc1c(N2C[C@H]3CCCN[C@H]3C2)c(F)cc2c(=O)c(C=O)cn(C3CC3)c12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
HPGD P15428 4/20 0.74
ALDH1A1 P00352 4/20 0.74
HSD17B10 Q99714 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
KCNH2 Q12809 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 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 0.42
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10062390 1.00 KDM4E (0.74) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10061990 0.90 KDM4E (0.72) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL16215006 0.89 KDM4E (0.65) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28653434 0.88 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL4774670 0.86 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL21783209 0.86 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10062387 0.86 KDM4E (0.75) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL22273495 0.86 KDM4E (0.75) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14010189 0.86 KDM4E (0.86) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL12156451 0.86 KDM4E (0.98) 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
EP-1992626-A1 Process for the preparation of moxifloxacin hydrochloride Sandoz AG (CH) 2008-11-19 EP disclosed