SCHEMBL9534670

SCHEMBL9534670

COCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC4=C(C3)C(NC(=O)OC(C)(C)C)CC4)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
KCNH2 Q12809 4/20 0.39
KDM4E B2RXH2 7/20 0.37
ATM Q13315 1/20 0.37
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 3/20 0.37
OPRM1 P35372 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL9536397 0.89 TOP2A (0.47) KCNH2KDM4EATMTOP2ATOP2B
SCHEMBL9537262 0.78 TOP2A (0.51) KCNH2KDM4ETOP2ATOP2BALDH1A1
SCHEMBL9535368 0.76 TOP2A (0.51) KCNH2KDM4ETOP2ATOP2BALDH1A1
SCHEMBL9543963 0.76 KDM4E (0.32) KDM4ETOP2ATOP2BALDH1A1HPGD
SCHEMBL8741054 0.75 ADRB2 (0.51) ADRB2KCNH2KDM4EATMTOP2A
SCHEMBL9572064 0.73 ADRB2 (0.49) ADRB2KCNH2KDM4ETOP2ATOP2B
SCHEMBL12818938 0.72 ADRB2 (0.42) ADRB2KCNH2KDM4EATMTOP2A
SCHEMBL10374530 0.71 KCNH2 (0.51) KCNH2KDM4EATMTOP2ATOP2B
SCHEMBL10687624 0.71 KCNH2 (0.51) KCNH2KDM4EATMTOP2ATOP2B
SCHEMBL9388005 0.71 ALDH1A1 (0.55) KCNH2KDM4EATMTOP2ATOP2B

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
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed