SCHEMBL9510054

SCHEMBL9510054

CCOC(=O)C(=CNC(C)C(OC)OC)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHODH Q02127 3/20 0.34
GAA P10253 7/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
STAT1 P42224 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6511932 0.85 MEN1 (0.36) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL5534138 0.85 MEN1 (0.36) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL10392582 0.85 MEN1 (0.37) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL26365723 0.82 MEN1 (0.35) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL9510747 0.82 ALDH1A1 (0.38) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL10541861 0.82 ALDH1A1 (0.38) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL29281063 0.81 CYP2D6 (0.43) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL10537823 0.80 GAA (0.35) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL9838778 0.80 GAA (0.35) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL12916941 0.80 MAPT (0.35) KMT2AMEN1NPSR1MAPTLMNA

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-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