SCHEMBL7997875

SCHEMBL7997875

Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.45
TOP2A P11388 4/20 0.45
TOP2B Q02880 4/20 0.45
STAT3 P40763 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.41
CACNA1F O60840 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8744082 1.00 GSK3B (0.45) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL8007897 1.00 GSK3B (0.45) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL8131981 0.90 STAT3 (0.56) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL9096957 0.90 STAT3 (0.56) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL8131449 0.90 STAT3 (0.56) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL4675138 0.86 STAT3 (0.49) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL4730859 0.86 STAT3 (0.49) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL5619172 0.85 GSK3B (0.53) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL8139161 0.85 GSK3B (0.53) GSK3BTOP2ATOP2BSTAT3MEN1
SCHEMBL4673103 0.85 GSK3B (0.53) GSK3BTOP2ATOP2BSTAT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
US-5696132-A MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-12-09 US disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed