SCHEMBL27768800

SCHEMBL27768800

CC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
MAPT P10636 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
GAA P10253 1/20 0.74
XBP1 P17861 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
NTRK1 P04629 1/20 0.66
NTRK2 Q16620 1/20 0.66
HTT P42858 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL965139 0.86 SMN1; SMN2 (0.64) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL30212894 0.82 SMN1; SMN2 (0.69) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL9429509 0.82 SMN1; SMN2 (0.69) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL31236338 0.82 MAPT (0.77) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL5142590 0.82 MAPT (0.77) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL30977690 0.81 SMN1; SMN2 (0.71) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL2184782 0.81 SMN1; SMN2 (0.71) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL15767201 0.80 MEN1 (0.58) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL8347078 0.80 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL1603669 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPTMEN1KMT2AGAA

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-101490040-B 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB 2013-06-12 CN disclosed
CN-101918391-B Some 2-pyrazinone derivatives and their use in preparing inhibitors of neutrophile elastase ASTRAZENECA AB 2013-06-05 CN disclosed
CN-101918391-A Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRAZENECA AB 2010-12-15 CN disclosed
CN-101490040-A 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2009-07-22 CN disclosed