SCHEMBL9304911

SCHEMBL9304911

CN1c2ccc([N+](=O)[O-])cc2SC1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.47
▸ CASP6 P55212 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38

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
SCHEMBL5675185 0.83 SNCA (0.48) SNCACASP6CASP1CASP3CASP4
SCHEMBL8226386 0.72 SNCA (0.78) SNCACASP6CASP1CASP3CASP4
SCHEMBL5476176 0.71 SNCA (0.40) SNCACASP6CASP1CASP3CASP4
SCHEMBL28852929 0.71 ALDH1A1 (0.44) SNCACASP6CASP1CASP3CASP4
SCHEMBL27620706 0.71 SNCA (0.42) SNCACASP6CASP1CASP3CASP4
Iodide SCHEMBL11686704 0.70 SNCA (0.41) SNCACASP6CASP1CASP3CASP4
SCHEMBL30123443 0.69 SNCA (0.49) SNCACASP6CASP1CASP3CASP4
SCHEMBL30867072 0.68 SNCA (0.70) SNCACASP6CASP1CASP3CASP4
SCHEMBL29214118 0.68 SNCA (0.70) SNCACASP6CASP1CASP3CASP4
SCHEMBL6070223 0.68 SNCA (0.48) SNCACASP6CASP1CASP3CASP4

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
US-5328993-A Dyeing plastics; colorfastness, photostability BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 — — US disclosed
EP-0567849-A1 Process for preparing dyes BAYER AG (DE) 1993-11-03 — — EP disclosed
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