SCHEMBL9569190

SCHEMBL9569190

CC(C)(CCCOc1ccccc1)C1=Cn2cc(OC(=O)O)c(=O)c3cc(F)c(F)c(c32)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.33
PPARA Q07869 4/20 0.33
KCNA3 P22001 2/20 0.32
TOP2A P11388 1/20 0.30
TOP2B Q02880 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
SCHEMBL9569145 0.91 TOP1 (0.31) TOP1PPARA
SCHEMBL9569188 0.90 TOP1 (0.41) TOP1PPARATOP2ATOP2B
SCHEMBL9569179 0.87 TOP2A (0.47) TOP1TOP2ATOP2B
SCHEMBL9569186 0.84 KDM4E (0.43) TOP1TOP2ATOP2B
SCHEMBL9560364 0.82 TOP1 (0.38) TOP1TOP2ATOP2B
SCHEMBL9509563 0.77 TOP1 (0.40) TOP1TOP2ATOP2B
SCHEMBL9509713 0.75 TOP1 (0.40) TOP1TOP2ATOP2B
SCHEMBL9569183 0.74 KDM4E (0.51) TOP1TOP2ATOP2B
SCHEMBL9560540 0.73 TOP1 (0.36) TOP1
SCHEMBL9560567 0.73 STAT3 (0.37) TOP1TOP2ATOP2B

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-0563734-A1 9-fluoro-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine carboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed