SCHEMBL9569159

SCHEMBL9569159

CCOC(=O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC(C(=O)OCC)=C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
KMT2A Q03164 4/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ADRB2 P07550 1/20 0.35
TOP1 P11387 2/20 0.34
HTT P42858 1/20 0.33
TYMS P04818 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
CUL4A Q13619 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
SCHEMBL9512987 0.89 STAT3 (0.39) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560141 0.88 STAT3 (0.39) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9404724 0.88 STAT3 (0.51) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560567 0.85 STAT3 (0.37) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560518 0.85 STAT3 (0.37) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9510131 0.84 TOP1 (0.36) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9569148 0.84 STAT3 (0.38) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560451 0.84 STAT3 (0.36) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560596 0.82 KDM4E (0.38) STAT3KMT2ACNR1CNR2KDM4E
SCHEMBL9560614 0.82 STAT3 (0.42) STAT3KMT2ACNR1CNR2KDM4E

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