SCHEMBL8322131

SCHEMBL8322131

O=C(O)c1cn(C2CC2F)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.47
TOP2B Q02880 7/20 0.47
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.40

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
SCHEMBL9095069 1.00 TOP2A (0.47) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL8138660 1.00 TOP2A (0.47) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL7607382 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9096661 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL500455 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL3391642 0.86 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL9094738 0.86 ALDH1A1 (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL7510943 0.86 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL968608 0.86 ALDH1A1 (0.53) TOP2ATOP2BKDM4EALDH1A1POLB
SCHEMBL10330769 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US claimed
EP-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP claimed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
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
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US 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-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP disclosed