SCHEMBL27809394

SCHEMBL27809394

N#[N+]N1SC(N)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 3/20 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
▸ CHRNB4 P30926 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19207373 0.64 TSHR (0.56) ALDH1A1LMNATDP1CHRNB4CHRNA3
SCHEMBL19243529 0.64 TSHR (0.56) ALDH1A1LMNATDP1CHRNB4CHRNA3
SCHEMBL28845915 0.64 ALDH1A1 (0.37) SIRT2ALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL6938882 0.62 CYP3A4 (0.44) ALDH1A1SMN1; SMN2LMNATDP1POLB
SCHEMBL12825154 0.61 HSP90AA1 (0.57) ALDH1A1LMNATDP1POLBAPEX1
SCHEMBL9304911 0.61 SNCA (0.47) SIRT2ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL6327324 0.61 HSP90AA1 (0.45) LMNATDP1CHRNB4CHRNA3HSP90AA1
SCHEMBL6277445 0.61 HSP90AA1 (0.45) LMNATDP1CHRNB4CHRNA3HSP90AA1
SCHEMBL28092025 0.60 CHRNB4 (0.67) ALDH1A1LMNATDP1CHRNB4CHRNA3
SCHEMBL31220888 0.60 TSHR (0.56) ALDH1A1LMNATDP1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102070552-B Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2012-11-28 — — CN disclosed
CN-102070552-A Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2011-05-25 — — CN disclosed
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