SCHEMBL9569160

SCHEMBL9569160

O=C(O)c1cn2c3c(c(F)c(F)cc3c1=O)OC=C2COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.48
STAT3 P40763 1/20 0.46
TOP2A P11388 14/20 0.41
TOP2B Q02880 13/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL9569164 0.90 STAT3 (0.41) TOP1STAT3TOP2ATOP2B
SCHEMBL9569169 0.88 TOP1 (0.51) TOP1STAT3TOP2ATOP2BKDM4E
SCHEMBL9569144 0.85 STAT3 (0.40) TOP1STAT3KDM4E
SCHEMBL9569153 0.80 TOP1 (0.53) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569173 0.78 STAT3 (0.39) TOP1STAT3TOP2ATOP2B
SCHEMBL9388538 0.76 TOP1 (0.54) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569181 0.74 STAT3 (0.38) TOP1STAT3TOP2ATOP2BKDM4E
SCHEMBL9569167 0.73 TOP2A (0.63) TOP1TOP2ATOP2B
SCHEMBL9569139 0.72 TOP1 (0.51) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL14668818 0.72 STAT3 (0.55) TOP1STAT3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563734-A1 9-fluoro-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine carboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed