SCHEMBL9598149

SCHEMBL9598149

O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O.O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(n4ccnn4)C3)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.54
▸ TOP2B Q02880 6/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ KCNH2 Q12809 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL9293080 0.97 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9598155 0.92 TOP2A (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8136415 0.91 ALDH1A1 (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9293538 0.90 ALDH1A1 (0.53) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8137471 0.87 ALDH1A1 (0.52) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8137466 0.87 ALDH1A1 (0.52) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8137477 0.87 ALDH1A1 (0.52) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8133566 0.82 KCNH2 (0.68) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8134406 0.82 KCNH2 (0.68) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9670575 0.82 KCNH2 (0.60) TOP2ATOP2BALDH1A1POLBOPRM1

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-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 — — WO disclosed
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