SCHEMBL22326107

SCHEMBL22326107

Nc1ccc(Br)c(Oc2ccc(Cl)cc2)c1N.Nc1ccc(Br)c(Oc2ccc(Cl)cc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.39
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 8/20 0.33
MEN1 O00255 7/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL22326087 0.95 PDE7A (0.42) PDE7AMAOAMAOBKMT2AMEN1
SCHEMBL22326089 0.88 PDE7A (0.37) PDE7AMAOAMAOBKMT2AMEN1
SCHEMBL22325766 0.87 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL22325936 0.85 EPAS1 (0.43) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL22325738 0.85 MAOA (0.47) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL22325996 0.81 ALDH1A1 (0.43) MAOAKMT2AMEN1ALDH1A1MAPT
SCHEMBL22325952 0.80 EPAS1 (0.46) PDE7AKMT2AMEN1ALDH1A1MAPT
SCHEMBL22325961 0.77 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL22326076 0.74 CA12 (0.40) KMT2AMEN1ALDH1A1MAPTTTR
SCHEMBL4786052 0.73 MEN1 (0.36) PDE7AKMT2AMEN1ALDH1A1MAPT

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
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed