SCHEMBL8339253

SCHEMBL8339253

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.60
TOP2B Q02880 7/20 0.60
ALDH1A1 P00352 5/20 0.52
POLB P06746 2/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
OPRD1 P41143 1/20 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
KCNH2 Q12809 4/20 0.49
MAPT P10636 1/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL30891255 0.88 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6659404 0.88 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9096255 0.86 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8337308 0.86 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL7524708 0.85 TOP2A (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500719 0.85 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29463823 0.85 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10510815 0.84 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511115 0.84 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511131 0.84 TOP2A (0.69) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990122-A SUBSTITUTED IN THE 7-POSITION BY A TRICYCLIC AMINE RADICAL; REDUCED GENOTOXIC PROPERTIES AND INCREASED ANTIBACTERIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5986105-A ENANTIOMORPHS AS BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
US-5783708-A HEXAHYDROISOINDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed