SCHEMBL9513019

SCHEMBL9513019

CC1=COc2c(N3CCNCC3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 3/20 0.49
TOP1 P11387 4/20 0.49
KDM4E B2RXH2 7/20 0.40
HPGD P15428 6/20 0.39
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 5/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AADAT Q8N5Z0 2/20 0.38
POLB P06746 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 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
SCHEMBL9512776 0.90 KDM4E (0.51) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9560151 0.89 TOP2A (0.50) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9513013 0.89 TOP2A (0.62) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9510219 0.88 KDM4E (0.51) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9560809 0.87 KDM4E (0.41) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9569172 0.86 TOP2A (0.43) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9513068 0.86 KDM4E (0.48) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9560636 0.85 ALDH1A1 (0.41) TOP2ATOP1KDM4EHPGDHSD17B10
SCHEMBL9569180 0.84 TOP2A (0.42) TOP2ATOP2BTOP1KDM4EHPGD
SCHEMBL9569171 0.83 TOP2A (0.51) TOP2ATOP2BTOP1

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 4 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-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 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
EP-0253235-A1 1,8-Bridged 4-quinolone carboxylic acids and medicaments contaning them BAYER AG (DE) 1988-01-20 EP disclosed