SCHEMBL28078652

SCHEMBL28078652

CN(C)c1ccc2c(c1)Sc1cc(N(C)C)cc(Cl)c1N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SNCA P37840 2/20 0.36
NOX1 Q9Y5S8 5/20 0.35
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTR6 P50406 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL14041609 0.85 HTR6 (0.33) SNCAHTR6
Hydromethylthionine SCHEMBL109756 0.82 SNCA (0.50) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL12592446 0.82 SNCA (0.50) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL29356148 0.82 SNCA (0.50) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL23683393 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL1577040 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL31159649 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL25194477 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL12470963 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1
Hydromethylthionine SCHEMBL31159642 0.80 SNCA (0.48) MAPTSNCANOX1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683171-A Chemical synthesis of diaminophenothiazinium compounds including methylthioninium chloride (MTC) 维斯塔实验室有限公司 2016-06-15 CN disclosed