SCHEMBL22326089

SCHEMBL22326089

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.37
HSPB1 P04792 4/20 0.35
LMNA P02545 3/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
SOS1 Q07889 1/20 0.31
VEGFA P15692 1/20 0.30
EPAS1 Q99814 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
SCHEMBL22326087 0.92 PDE7A (0.42) PDE7AHSPB1LMNAMAOAMAOB
SCHEMBL22326107 0.88 PDE7A (0.39) PDE7AHSPB1LMNAMAOAMAOB
SCHEMBL22326076 0.88 CA12 (0.40) HSPB1LMNAMEN1KMT2AALDH1A1
SCHEMBL22325855 0.86 EPAS1 (0.44) PDE7ALMNAMEN1KMT2AALDH1A1
SCHEMBL22326090 0.82 PTGER4 (0.34) PDE7AHSPB1LMNAMEN1KMT2A
SCHEMBL239430 0.80 MEN1 (0.41) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL22325996 0.79 ALDH1A1 (0.43) LMNAMAOAMEN1KMT2AALDH1A1
SCHEMBL22325934 0.78 ALDH1A1 (0.40) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL22325952 0.78 EPAS1 (0.46) PDE7ALMNAMEN1KMT2AALDH1A1
SCHEMBL22325766 0.74 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1MAPT

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