SCHEMBL7524708

SCHEMBL7524708

C#Cc1c(F)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.44
TOP2B Q02880 7/20 0.44
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
OPRM1 P35372 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6659405 0.89 TOP2A (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8132889 0.87 TOP2A (0.33) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9238539 0.87 TOP2A (0.33) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6213861 0.86 TOP2A (0.52) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8339253 0.85 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8803590 0.83 KDM4E (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL1972628 0.83 ALDH1A1 (0.49) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6212483 0.83 TOP2A (0.49) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8324774 0.83 TOP2A (0.47) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8322655 0.82 TOP2A (0.33) TOP2ATOP2BKCNH2KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907648-B1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 2002-03-06 EP disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0907648-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 1999-04-14 EP disclosed
WO-1998000421-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP disclosed
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 EP disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed
EP-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 EP disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP disclosed