SCHEMBL9509563

SCHEMBL9509563

O=C(O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC(c1ccccc1)=C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.40
STAT3 P40763 1/20 0.33
CHRM1 P11229 1/20 0.33
TOP2A P11388 11/20 0.32
TOP2B Q02880 11/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL9510131 0.87 TOP1 (0.36) TOP1STAT3CHRM1HPGDHSD17B10
SCHEMBL9560540 0.87 TOP1 (0.36) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL9509558 0.86 TOP1 (0.52) TOP1CHRM1TOP2ATOP2BKDM4E
SCHEMBL9509713 0.84 TOP1 (0.40) TOP1STAT3TOP2ATOP2BHPGD
SCHEMBL9569192 0.81 TOP1 (0.37) TOP1
SCHEMBL10538537 0.81 STAT3 (0.47) TOP1STAT3HPGDHSD17B10KDM4E
SCHEMBL9560364 0.81 TOP1 (0.38) TOP1STAT3TOP2ATOP2B
SCHEMBL9569195 0.80 TOP1 (0.40) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9560451 0.79 STAT3 (0.36) TOP1STAT3TOP2ATOP2BHPGD
SCHEMBL9560421 0.79 TOP1 (0.40) TOP1STAT3TOP2ATOP2BHPGD

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-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP claimed
EP-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP disclosed