SCHEMBL8131981

SCHEMBL8131981

O=C(O)c1cn(C2CC2F)c2c(F)c(F)c(F)c(F)c2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TOP2A P11388 4/20 0.48
TOP2B Q02880 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CACNA1F O60840 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1D Q01668 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
GSK3B P49841 8/20 0.43
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8131449 1.00 STAT3 (0.56) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL9096957 1.00 STAT3 (0.56) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL4675138 0.91 STAT3 (0.49) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL4730859 0.91 STAT3 (0.49) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL8744082 0.90 GSK3B (0.45) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL4673103 0.90 GSK3B (0.53) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL8139161 0.90 GSK3B (0.53) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL8007897 0.90 GSK3B (0.45) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL7997875 0.90 GSK3B (0.45) STAT3MEN1KMT2ATOP2ATOP2B
SCHEMBL5619172 0.90 GSK3B (0.53) STAT3MEN1KMT2ATOP2ATOP2B

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 17 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-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
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-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 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