SCHEMBL9268292

SCHEMBL9268292

CCOC(=O)c1cn(C2COC2)c2c(F)c(F)c(F)c(N)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.51
HTT P42858 1/20 0.45
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
GSK3B P49841 12/20 0.44
CACNA1F O60840 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
ADRB2 P07550 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL9267912 0.91 STAT3 (0.61) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL1344898 0.90 STAT3 (0.54) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL9273133 0.86 STAT3 (0.49) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL9261876 0.84 STAT3 (0.47) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL13483600 0.84 STAT3 (0.52) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL9265456 0.84 STAT3 (0.42) STAT3HTTTOP2ATOP2BGSK3B
SCHEMBL9264770 0.83 GSK3B (0.57) STAT3TOP2ATOP2BGSK3BCACNA1F
SCHEMBL6880793 0.83 GSK3B (0.50) STAT3TOP2ATOP2BGSK3BCACNA1F
SCHEMBL5704363 0.81 GSK3B (0.51) STAT3TOP2ATOP2BGSK3BCACNA1F
SCHEMBL9688633 0.81 CACNA1F (0.49) STAT3TOP2ATOP2BGSK3BCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407932-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-04-18 US disclosed
EP-0393400-B1 Novel quinolone derivatives, preparation processes thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KK (JP) 1994-12-21 EP disclosed
US-5245037-A Synthetic bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
EP-0393400-A1 Novel quinolone derivatives, preparation processes thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-24 EP disclosed