SCHEMBL5320083

SCHEMBL5320083

COc1c(N2CCNC(C)C2)ccc2c(=O)c(C(=O)OF)cn(C3CC3)c12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
KCNH2 Q12809 6/20 0.60
HPGD P15428 4/20 0.60
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
PRKD3 O94806 1/20 0.60
ALOX15 P16050 1/20 0.60
OPRM1 P35372 1/20 0.60
CLK2 P49760 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
CYP3A4 P08684 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.40
CYP2C19 P33261 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
SCHEMBL16011743 0.80 KDM4E (0.42) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL5725016 0.79 KCNH2 (0.56) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL5725012 0.79 KCNH2 (0.56) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL16011744 0.79 KCNH2 (0.55) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL5790693 0.79 KDM4E (0.78) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL13841370 0.79 KDM4E (0.67) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL15132795 0.78 KDM4E (0.85) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL16009404 0.77 KDM4E (0.82) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL14578644 0.77 KCNH2 (0.60) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL13973963 0.76 KCNH2 (0.71) KDM4EKCNH2HPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007099431-A2 AN AQUEOUS LIQUID PHARMACEUTICAL COMPOSITIONS OF GATIFLOXACIN WOCKHARDT LTD (IN) 2007-09-07 WO disclosed
WO-2006004561-A1 PROCESS FOR THE PREPARATION OF GATIFLOXACIN AND REGENERATION OF DEGRADATION PRODUCTS KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2006-01-12 WO disclosed