SCHEMBL14616029

SCHEMBL14616029

COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)OCC(=O)N(C)C)cn(C3CC3)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.75
HPGD P15428 4/20 0.75
ALDH1A1 P00352 4/20 0.75
HSD17B10 Q99714 2/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
KCNH2 Q12809 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
OPRM1 P35372 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
LMNA P02545 2/20 0.45
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL28416357 0.92 KDM4E (0.80) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14010118 0.91 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5003817 0.91 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL16024499 0.89 KDM4E (0.78) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5006539 0.89 KDM4E (0.85) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL16011450 0.89 KDM4E (0.85) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5009602 0.88 KDM4E (0.76) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL1706103 0.88 KDM4E (0.76) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL16011449 0.87 KDM4E (0.82) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5006518 0.86 KDM4E (0.76) 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
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 WO disclosed