SCHEMBL9569188

SCHEMBL9569188

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.41
TOP2A P11388 8/20 0.37
TOP2B Q02880 8/20 0.37
GSK3B P49841 1/20 0.34
PPARA Q07869 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL9569190 0.90 TOP1 (0.33) TOP1TOP2ATOP2BPPARA
SCHEMBL9569145 0.86 TOP1 (0.31) TOP1PPARAKDM4ELMNA
SCHEMBL9569183 0.83 KDM4E (0.51) TOP1TOP2ATOP2BHPGDKDM4E
SCHEMBL9560362 0.81 TOP1 (0.49) TOP1TOP2ATOP2BHPGDKDM4E
SCHEMBL9569179 0.78 TOP2A (0.47) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569186 0.75 KDM4E (0.43) TOP1TOP2ATOP2BHPGDKDM4E
SCHEMBL9509558 0.75 TOP1 (0.52) TOP1TOP2ATOP2BKDM4EPOLB
SCHEMBL9509708 0.73 TOP1 (0.52) TOP1TOP2ATOP2BHPGDKDM4E
SCHEMBL9560538 0.71 TOP1 (0.45) TOP1TOP2ATOP2BGSK3BKDM4E
SCHEMBL9560364 0.70 TOP1 (0.38) 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