SCHEMBL9509713

SCHEMBL9509713

CC1=Cn2cc(OC(=O)O)c(=O)c3cc(F)c(F)c(c32)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.40
STAT3 P40763 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TOP2A P11388 4/20 0.32
TOP2B Q02880 4/20 0.32
KDM4E B2RXH2 6/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 3/20 0.30
HSD17B10 Q99714 3/20 0.30
ALDH1A1 P00352 3/20 0.30
ALB P02768 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL9513032 0.88 KDM4E (0.47) TOP1TOP2ATOP2BKDM4EHPGD
SCHEMBL9512987 0.87 STAT3 (0.39) TOP1STAT3CNR1CNR2KDM4E
SCHEMBL9560364 0.86 TOP1 (0.38) TOP1STAT3CNR1CNR2TOP2A
SCHEMBL9509708 0.85 TOP1 (0.52) TOP1TOP2ATOP2BKDM4EKMT2A
SCHEMBL9509563 0.84 TOP1 (0.40) TOP1STAT3TOP2ATOP2BKDM4E
SCHEMBL9512154 0.83 KDM4E (0.50) TOP1TOP2ATOP2BKDM4EHPGD
SCHEMBL9569195 0.83 TOP1 (0.40) TOP1CNR1CNR2TOP2ATOP2B
SCHEMBL9560601 0.81 TOP1 (0.45) TOP1STAT3CNR1CNR2TOP2A
SCHEMBL10543498 0.80 STAT3 (0.52) TOP1STAT3CNR1CNR2KDM4E
SCHEMBL9560540 0.80 TOP1 (0.36) TOP1KDM4EKMT2AHPGDHSD17B10

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