SCHEMBL8324772

SCHEMBL8324772

O=C(O)c1cn(C2CC2)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.64
TOP2B Q02880 7/20 0.64
ALDH1A1 P00352 5/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
KCNH2 Q12809 5/20 0.52
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL500719 0.88 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29463823 0.88 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
Potassium SCHEMBL10510827 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511115 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511131 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10510815 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL584841 0.86 TOP2A (0.68) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL30320686 0.86 TOP2A (0.68) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8322131 0.85 TOP2A (0.47) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8138660 0.85 TOP2A (0.47) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
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
EP-0184035-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-07-25 EP disclosed
EP-0216245-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-07-25 EP disclosed
EP-0183129-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-08-09 EP disclosed
US-4826982-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0216245-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed
EP-0207497-A2 Quinolonecarboxylic acid derivative and process for its preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP disclosed
EP-0184035-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-11 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed