SCHEMBL22325855

SCHEMBL22325855

Nc1ccc(Br)c(F)c1[N+](=O)[O-].Nc1ccc(Br)c(Oc2cccc(Cl)c2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.44
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.33
TERT O14746 1/20 0.33
TBXA2R P21731 1/20 0.33
FAAH O00519 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VEGFA P15692 1/20 0.32
PDE7A Q13946 2/20 0.32
NPY1R P25929 1/20 0.32
RPS6KB1 P23443 1/20 0.32
F10 P00742 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
SCHEMBL22325952 0.93 EPAS1 (0.46) EPAS1ALDH1A1TDP1MAPTMEN1
SCHEMBL22325936 0.89 EPAS1 (0.43) EPAS1ALDH1A1TDP1MAPTMEN1
SCHEMBL22326089 0.86 PDE7A (0.37) EPAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22326076 0.86 CA12 (0.40) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL22325857 0.83 EPAS1 (0.43) EPAS1ALDH1A1TDP1MAPTMEN1
SCHEMBL22325934 0.79 ALDH1A1 (0.40) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL22326087 0.78 PDE7A (0.42) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL22325996 0.78 ALDH1A1 (0.43) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL239430 0.76 MEN1 (0.41) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL22325783 0.74 L3MBTL1 (0.40) ALDH1A1MAPTPOLBHSP90AA1LMNA

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