SCHEMBL5592402

SCHEMBL5592402

[N-]=[N+]=NOC(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.44
▸ ALDH1A1 P00352 13/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL13977875 0.76 ALDH1A1 (0.45) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL473919 0.74 ALDH1A1 (0.51) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL15202917 0.74 TDP1 (0.50) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL29726958 0.74 ALDH1A1 (0.51) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL13977503 0.73 ALDH1A1 (0.39) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL230989 0.71 KMT2A (0.45) TDP1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL8337219 0.70 ALDH1A1 (0.48) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL454098 0.70 ALDH1A1 (0.48) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL31050105 0.70 ALDH1A1 (0.61) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL337203 0.70 ALDH1A1 (0.61) TDP1ALDH1A1MAPK1L3MBTL1MAPT

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-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
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