SCHEMBL4255828

SCHEMBL4255828

CC(=O)c1cc(N)cc2c1Nc1ccc(N)cc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.38
▸ KMT2A Q03164 8/20 0.38
▸ MAPT P10636 6/20 0.38
▸ NOX1 Q9Y5S8 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ SNCA P37840 2/20 0.38
▸ CYBB P04839 1/20 0.38
▸ APP P05067 1/20 0.38
▸ NOX3 Q9HBY0 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ THRB P10828 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL1312704 0.80 SNCA (0.38) MEN1KMT2AMAPTNOX1GAA
SCHEMBL30448836 0.76 MAPT (0.37) MEN1KMT2AMAPTNOX1GAA
SCHEMBL31657578 0.76 MAPT (0.37) MEN1KMT2AMAPTNOX1GAA
SCHEMBL20495639 0.76 MAPT (0.37) MEN1KMT2AMAPTNOX1GAA
SCHEMBL1206520 0.74 SNCA (0.35) MEN1KMT2AMAPTNOX1GAA
SCHEMBL29600380 0.74 SNCA (0.50) MEN1KMT2AMAPTNOX1GAA
SCHEMBL29625245 0.74 SNCA (0.50) MEN1KMT2AMAPTNOX1GAA
SCHEMBL64975 0.74 SNCA (0.50) MEN1KMT2AMAPTNOX1GAA
SCHEMBL9243182 0.74 NOX1 (0.33) NOX1SNCAL3MBTL1
Hydrochloric Acid SCHEMBL31175976 0.72 SNCA (0.48) MEN1KMT2AMAPTNOX1GAA

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
EP-2057136-A2 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS Wista Laboratories Ltd. (SG) 2009-05-13 — — 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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