SCHEMBL9560421

SCHEMBL9560421

O=C(O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC=C2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.40
STAT3 P40763 1/20 0.35
TOP2A P11388 15/20 0.34
TOP2B Q02880 13/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL9569173 0.82 STAT3 (0.39) TOP1STAT3TOP2ATOP2B
SCHEMBL9513057 0.82 TOP1 (0.41) TOP1STAT3TOP2ATOP2BHPGD
SCHEMBL9560484 0.81 TOP1 (0.41) TOP1STAT3TOP2ATOP2BHPGD
SCHEMBL9569164 0.80 STAT3 (0.41) TOP1STAT3TOP2ATOP2B
SCHEMBL9560449 0.80 TOP1 (0.39) TOP1STAT3TOP2AHPGDHSD17B10
SCHEMBL9569142 0.79 TOP1 (0.39) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9509563 0.79 TOP1 (0.40) TOP1STAT3TOP2ATOP2BHPGD
SCHEMBL6214790 0.76 KDM4E (0.49) TOP1STAT3HPGDHSD17B10KDM4E
SCHEMBL9560601 0.73 TOP1 (0.45) TOP1STAT3TOP2ATOP2BHPGD
Hydrochloric Acid SCHEMBL9569157 0.72 CYP11B1 (0.35) TOP1

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