SCHEMBL9535368

SCHEMBL9535368

CNC1CCC2=C1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.51
TOP2B Q02880 6/20 0.51
KCNH2 Q12809 5/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9536926 0.92 ALDH1A1 (0.59) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9537262 0.91 TOP2A (0.51) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9241429 0.87 ALDH1A1 (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9536397 0.87 TOP2A (0.47) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9538815 0.87 KDM4E (0.42) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9539535 0.84 KDM4E (0.45) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9536591 0.83 CACNA1F (0.61) TOP2ATOP2BKCNH2POLBMEN1
SCHEMBL9537064 0.83 KDM4E (0.64) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9538346 0.83 KMT2A (0.44) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9690836 0.83 TOP2A (0.58) TOP2ATOP2BKCNH2ALDH1A1POLB

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