Nitrogen

Nitrogen

SCHEMBL28845916

N#N.NN1CSc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ CACNA1B Q00975 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
SCHEMBL5949996 0.97 TDP1 (0.40) SIRT2ALDH1A1LMNATDP1MAPT
SCHEMBL29219009 0.84 SNCA (0.43) SIRT2ALDH1A1LMNATDP1MAPT
SCHEMBL27888371 0.78 ESPL1 (0.43) SIRT2ALDH1A1LMNATDP1MAPT
SCHEMBL9229136 0.70 CTSB (0.34) SIRT2ALDH1A1LMNAMAPTCASP6
SCHEMBL30123443 0.69 SNCA (0.49) SIRT2ALDH1A1LMNATDP1MAPT
SCHEMBL3600632 0.69 LMNA (0.56) SIRT2ALDH1A1LMNAMAPTPOLB
SCHEMBL6653019 0.67 ROCK1 (0.54) SIRT2ALDH1A1LMNATDP1MAPT
SCHEMBL28845915 0.67 ALDH1A1 (0.37) SIRT2ALDH1A1TDP1MAPTMCL1
SCHEMBL2123168 0.66 NOTUM (0.57) ALDH1A1LMNAMAPTRAB9APOLB
SCHEMBL14976087 0.65 RORC (0.50) ALDH1A1LMNAMAPTPOLBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073934-A Benzisothiazole heterocyclic azo dye and preparation method thereof 青岛理工大学 2022-09-20 — — CN claimed
CN-115725189-A Bisazo disperse dye and synthetic method and application thereof 绍兴文理学院 2023-03-03 — — CN disclosed
CN-115386244-A Double-chromophore pH color-changing reactive dye and preparation and application thereof 南通大学 2022-11-25 — — CN disclosed
CN-115073934-A Benzisothiazole heterocyclic azo dye and preparation method thereof 青岛理工大学 2022-09-20 — — CN disclosed
CN-115073934-A Benzisothiazole heterocyclic azo dye and preparation method thereof 青岛理工大学 2022-09-20 — — CN disclosed
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