SCHEMBL8226386

SCHEMBL8226386

CN1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 8/20 0.78
▸ CASP1 P29466 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ CASP4 P49662 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ CASP9 P55211 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NOX1 Q9Y5S8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44

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
SCHEMBL30867072 0.94 SNCA (0.70) SNCACASP1CASP3CASP4CASP7
SCHEMBL29214118 0.94 SNCA (0.70) SNCACASP1CASP3CASP4CASP7
SCHEMBL30777324 0.92 SNCA (0.71) SNCAL3MBTL1NR1H2NR1H3TDP1
SCHEMBL11725544 0.92 SNCA (0.71) SNCAL3MBTL1NR1H2NR1H3TDP1
SCHEMBL28738324 0.91 SNCA (0.67) SNCACASP1CASP3CASP4CASP7
SCHEMBL29151192 0.88 SNCA (0.64) SNCACASP1CASP3CASP4CASP7
SCHEMBL29151195 0.85 SNCA (0.60) SNCACASP1CASP3CASP4CASP7
SCHEMBL17356869 0.81 SNCA (0.56) SNCACASP1CASP3CASP4CASP7
SCHEMBL1208152 0.80 SNCA (0.86) SNCASIRT2NOX1GAAMAPT
SCHEMBL29850622 0.80 SNCA (0.86) SNCASIRT2NOX1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457905-A1 Methods of synthesis and/or purification of diaminophenothiazinium compounds Wista Laboratories Ltd. (SG) 2012-05-30 — — EP disclosed
EP-2457904-A1 Methods of synthesis and/or purification of diaminophenothiazinium compounds Wista Laboratories Ltd. (SG) 2012-05-30 — — EP disclosed
WO-2008007074-A2 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2008-01-17 — — WO disclosed
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