SCHEMBL29876271

SCHEMBL29876271

O=[N+]([O-])c1ccc2c(c1)NCCCS2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CTSL P07711 3/20 0.42
SNCA P37840 4/20 0.39
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
TDP2 O95551 1/20 0.36
ADAM17 P78536 1/20 0.36
CACNA1C Q13936 1/20 0.36
CAPN9 O14815 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL499310 0.91 MAPT (0.56) MAPTNPC1RAB9ACTSLSNCA
SCHEMBL8471691 0.81 MAPT (0.59) MAPTNPC1RAB9ASNCAADRA2A
SCHEMBL499539 0.80 SNCA (0.49) MAPTNPC1RAB9ACTSLSNCA
SCHEMBL11268349 0.75 PNMT (0.43) MAPTNPC1RAB9ACTSLSNCA
SCHEMBL24982 0.73 MAPT (0.49) MAPTNPC1RAB9ACTSLSNCA
SCHEMBL29581896 0.73 PNMT (0.51) MAPTNPC1RAB9ACTSLADRA2A
SCHEMBL395008 0.73 PNMT (0.51) MAPTNPC1RAB9ACTSLADRA2A
SCHEMBL29414930 0.73 CTSL (0.50) MAPTNPC1RAB9ACTSLADRA2A
SCHEMBL5520219 0.72 ALDH1A1 (0.42) MAPTNPC1RAB9ACTSLMEN1
SCHEMBL5636666 0.72 ALDH1A1 (0.42) MAPTCTSLMEN1KMT2AALDH1A1

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
WO-2022213975-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-13 WO disclosed