SCHEMBL9560484

SCHEMBL9560484

CC(C)C1=COc2c(F)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.41
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
STAT3 P40763 1/20 0.33
TOP2A P11388 4/20 0.33
PIM1 P11309 2/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TOP2B Q02880 2/20 0.32
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL9560653 0.86 STAT3 (0.40) TOP1KDM4EALDH1A1STAT3PIM1
SCHEMBL9513057 0.86 TOP1 (0.41) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9560449 0.83 TOP1 (0.39) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9560151 0.82 TOP2A (0.50) TOP1KDM4EALDH1A1POLBTOP2A
SCHEMBL9560421 0.81 TOP1 (0.40) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569142 0.81 TOP1 (0.39) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569173 0.78 STAT3 (0.39) TOP1STAT3TOP2ATOP2B
SCHEMBL9560601 0.77 TOP1 (0.45) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9569164 0.76 STAT3 (0.41) TOP1STAT3TOP2ATOP2B
SCHEMBL9513068 0.76 KDM4E (0.48) TOP1KDM4EALDH1A1POLBTOP2A

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-0563732-A1 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed