SCHEMBL27807136

SCHEMBL27807136

COc1cc2[nH]c(=O)c(F)c(C)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.56
GRIN3B O60391 2/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
GRIN2B Q13224 2/20 0.56
GRIN2C Q14957 2/20 0.56
GRIN3A Q8TCU5 2/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PDE3B Q13370 7/20 0.51
PDE3A Q14432 7/20 0.51
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
AHR P35869 1/20 0.45
MPO P05164 1/20 0.44
XDH P47989 1/20 0.44

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
SCHEMBL31554393 0.82 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19147135 0.80 PDE3B (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27804543 0.80 PDE3B (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7983954 0.77 ALDH1A1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4741686 0.76 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8944835 0.74 PDE3B (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1292034 0.73 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19146292 0.72 PDE3B (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23885601 0.72 KDM4E (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19146396 0.72 NQO2 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101768114-B Synthesis method of 4-substituted-3-fluorine-2-quinolone UNIV SOUTHWEST 2011-07-20 CN claimed
CN-101768114-A Synthesis method of 4-substituted-3-fluorine-2-quinolone UNIV SOUTHWEST 2010-07-07 CN claimed
CN-101768114-B Synthesis method of 4-substituted-3-fluorine-2-quinolone UNIV SOUTHWEST 2011-07-20 CN disclosed
CN-101768114-A Synthesis method of 4-substituted-3-fluorine-2-quinolone UNIV SOUTHWEST 2010-07-07 CN disclosed