SCHEMBL1974491

SCHEMBL1974491

COc1c(F)c(F)cc2c(=O)c(OC(=O)O)cn(CC(F)(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.34
TOP1 P11387 7/20 0.34
KDM4E B2RXH2 4/20 0.34
KCNH2 Q12809 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PMP22 Q01453 1/20 0.32

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
SCHEMBL1973321 0.88 STAT3 (0.40) STAT3TOP1KDM4EPTGDR2ALDH1A1
SCHEMBL967928 0.87 KDM4E (0.46) TOP1KDM4EKCNH2GSK3BALDH1A1
SCHEMBL1970509 0.83 KCNH2 (0.47) TOP1KDM4EKCNH2ALDH1A1HPGD
SCHEMBL5118013 0.82 STAT3 (0.33) STAT3TOP1PTGDR2
SCHEMBL5179344 0.81 KDM4E (0.48) TOP1KDM4EKCNH2ALDH1A1HPGD
SCHEMBL1974255 0.81 KDM4E (0.42) TOP1KDM4EKCNH2ALDH1A1HPGD
SCHEMBL964499 0.81 STAT3 (0.52) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL967926 0.80 STAT3 (0.39) STAT3TOP1KDM4EKCNH2ALDH1A1
SCHEMBL1971640 0.80 KCNH2 (0.46) TOP1KDM4EKCNH2ALDH1A1HPGD
SCHEMBL12917115 0.79 KDM4E (0.45) TOP1KDM4EKCNH2GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed