SCHEMBL7008936

SCHEMBL7008936

CN1Cc2ccc(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3Cl)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.59
TOP2B Q02880 10/20 0.59
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
KCNH2 Q12809 4/20 0.45
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PRKD3 O94806 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7009271 0.91 TOP2A (0.72) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7011715 0.90 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7013980 0.89 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8322689 0.89 TOP2A (0.46) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7009585 0.88 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7013762 0.88 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7014412 0.88 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7011028 0.88 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7007995 0.86 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7010788 0.85 TOP2A (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed