SCHEMBL7544632

SCHEMBL7544632

COc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TDP1 Q9NUW8 6/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK13 O15264 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58
MAPK14 Q16539 1/20 0.58
MAPK1 P28482 6/20 0.54
CASP7 P55210 1/20 0.54
MAPT P10636 8/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 3/20 0.52
PKM P14618 1/20 0.52
EPAS1 Q99814 1/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL11515290 0.84 MAPK1 (0.54) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL27421290 0.84 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL7192890 0.83 MAPK13 (0.69) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL16174839 0.83 MAPT (0.54) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL6653205 0.83 MAPK13 (0.75) ALDH1A1TDP1SMN1; SMN2MAPK13MAPK12
SCHEMBL4589360 0.83 MAPK1 (0.55) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL4589324 0.82 MAPK13 (0.68) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL21463344 0.82 EPAS1 (0.55) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL30615629 0.82 EPAS1 (0.55) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13
SCHEMBL11517802 0.82 MAPK1 (0.54) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPK13

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-2002040467-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO disclosed