SCHEMBL29219009

SCHEMBL29219009

NN1CSc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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 0.87 TDP1 (0.40) TDP1CASP6POLBAPEX1CTDSP1
Nitrogen SCHEMBL28845916 0.84 SIRT2 (0.39) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL30123443 0.81 SNCA (0.49) SNCATDP1CASP6POLBAPEX1
SCHEMBL27888371 0.71 ESPL1 (0.43) SNCATDP1CASP6GAASIRT2
SCHEMBL3042154 0.71 LMNA (0.57) SNCATDP1CASP6POLBAPEX1
SCHEMBL1580092 0.70 ALDH1A1 (0.43) SNCATDP1GAASIRT2ALDH1A1
SCHEMBL2369970 0.69 GAA (0.40) SNCATDP1CASP6POLBAPEX1
SCHEMBL1580384 0.68 SNCA (0.38) SNCAGAASIRT2ALDH1A1SMN1; SMN2
SCHEMBL1580387 0.68 SNCA (0.38) SNCAGAASIRT2ALDH1A1SMN1; SMN2
SCHEMBL8226386 0.68 SNCA (0.78) SNCATDP1CASP6GAASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117866457-A Azo disperse dye with benzoyl group structure connected to coupling component aniline nitrogen atom and preparation method thereof 浙江大恒新材料有限公司 2024-04-12 — — CN claimed
CN-117050552-A Synthetic method and synthetic equipment of structural disperse dye 浙江大恒新材料有限公司 2023-11-14 — — CN claimed
CN-117866457-A Azo disperse dye with benzoyl group structure connected to coupling component aniline nitrogen atom and preparation method thereof 浙江大恒新材料有限公司 2024-04-12 — — CN disclosed
CN-117050552-A Synthetic method and synthetic equipment of structural disperse dye 浙江大恒新材料有限公司 2023-11-14 — — CN disclosed
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