SCHEMBL4675138

SCHEMBL4675138

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(F)c(F)c(F)c(O)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 10/20 0.41
TOP2A P11388 4/20 0.41
TOP2B Q02880 4/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CACNA1F O60840 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4730859 1.00 STAT3 (0.49) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL9096957 0.91 STAT3 (0.56) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL8131981 0.91 STAT3 (0.56) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL8131449 0.91 STAT3 (0.56) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL8139161 0.86 GSK3B (0.53) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL8744082 0.86 GSK3B (0.45) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL5619172 0.86 GSK3B (0.53) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL4673103 0.86 GSK3B (0.53) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL7997875 0.86 GSK3B (0.45) STAT3MEN1KMT2AGSK3BTOP2A
SCHEMBL8007897 0.86 GSK3B (0.45) STAT3MEN1KMT2AGSK3BTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed