SCHEMBL9569153

SCHEMBL9569153

O=C(O)CCC1=COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 10/20 0.53
PIM1 P11309 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TOP2A P11388 12/20 0.40
TOP2B Q02880 5/20 0.38

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
SCHEMBL9569169 0.83 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9388538 0.81 TOP1 (0.54) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569160 0.80 TOP1 (0.48) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569139 0.77 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL14668818 0.74 STAT3 (0.55) TOP1PIM1KDM4EALDH1A1
SCHEMBL9560449 0.74 TOP1 (0.39) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569173 0.71 STAT3 (0.39) TOP1TOP2ATOP2B
SCHEMBL10918713 0.70 TOP1 (0.53) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9513066 0.70 TOP2A (0.59) TOP1KDM4EALDH1A1POLBTOP2A
SCHEMBL9460937 0.70 STAT3 (0.57) TOP1PIM1KDM4EALDH1A1

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