SCHEMBL9560538

SCHEMBL9560538

COc1ccccc1C1=Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)c(c32)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.45
GPR35 Q9HC97 3/20 0.38
GSK3B P49841 2/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TOP2A P11388 5/20 0.36
TOP2B Q02880 5/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
DPP4 P27487 2/20 0.36

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
SCHEMBL9560540 0.90 TOP1 (0.36) TOP1GPR35KDM4EALDH1A1GAA
SCHEMBL9509558 0.85 TOP1 (0.52) TOP1KDM4EPOLBTOP2ATOP2B
SCHEMBL9560529 0.84 ALDH1A1 (0.38) POLBALDH1A1
SCHEMBL9509708 0.77 TOP1 (0.52) TOP1KDM4EPOLBTOP2ATOP2B
SCHEMBL10538537 0.76 STAT3 (0.47) TOP1KDM4EALDH1A1
SCHEMBL9509563 0.76 TOP1 (0.40) TOP1KDM4EPOLBTOP2ATOP2B
SCHEMBL9560362 0.74 TOP1 (0.49) TOP1KDM4EPOLBTOP2ATOP2B
SCHEMBL9510131 0.73 TOP1 (0.36) TOP1KDM4E
SCHEMBL10518098 0.72 KDM4E (0.49) GPR35KDM4EPOLBTOP2ATOP2B
SCHEMBL9569194 0.72 TOP1 (0.51) TOP1KDM4EPOLBTOP2ATOP2B

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-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 disclosed