SCHEMBL28817308

SCHEMBL28817308

[SeH2].c1ccc(-[n+]2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 4/20 0.33
BCHE P06276 3/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 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
SCHEMBL125499 0.97 MAPT (0.35) MAPTNPC1RAB9AACHEBCHE
Fluoride Ion SCHEMBL1502890 0.94 MAPT (0.34) MAPTNPC1RAB9AACHEBCHE
Iodide SCHEMBL1502876 0.94 MAPT (0.34) MAPTNPC1RAB9AACHEBCHE
Water SCHEMBL2150507 0.94 ACHE (0.37) MAPTNPC1RAB9AACHEBCHE
Ammonia Solution, Strong SCHEMBL4202272 0.94 MAPT (0.34) MAPTNPC1RAB9AACHEBCHE
Bromide SCHEMBL636300 0.94 ACHE (0.37) MAPTNPC1RAB9AACHEBCHE
SCHEMBL28558026 0.94 MAPT (0.34) MAPTNPC1RAB9AACHEBCHE
Hydrochloric Acid SCHEMBL30042005 0.94 MAPT (0.35) MAPTNPC1RAB9AACHEBCHE
Hydrochloric Acid SCHEMBL636092 0.94 MAPT (0.35) MAPTNPC1RAB9AACHEBCHE
SCHEMBL776579 0.87 NPC1 (0.37) MAPTNPC1RAB9AACHEALDH1A1

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-109790461-B Mixture, composition and organic electronic device 广州华睿光电材料有限公司 2022-08-12 CN disclosed