SCHEMBL28901461

SCHEMBL28901461

O=C(c1ccccc1)c1nc2c(Br)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SCD O00767 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
MEN1 O00255 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL3640930 0.84 MAPT (0.46) L3MBTL1MAPTPKMCASP3SENP8
SCHEMBL9183949 0.82 HSD17B1 (0.43) PDE10AL3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL28368237 0.80 MAPT (0.41) PDE10AL3MBTL1MAPTGAACASP3
SCHEMBL29749250 0.80 MAPT (0.41) PDE10AL3MBTL1MAPTGAACASP3
SCHEMBL5586060 0.78 GAA (0.42) MAPTHSD17B1HSD17B2GAAPKM
SCHEMBL28368126 0.76 ALDH1A1 (0.59) MAPTGAAPKMCASP3SENP8
SCHEMBL29749248 0.76 ALDH1A1 (0.59) MAPTGAAPKMCASP3SENP8
SCHEMBL24751 0.76 HSD17B1 (0.62) PDE10AL3MBTL1MAPTHSD17B1HSD17B2
Bromide SCHEMBL28862925 0.74 HSD17B1 (0.61) PDE10AL3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL28479083 0.74 GAA (0.46) L3MBTL1MAPTGAAPKMCASP3

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-108906053-B Hydrophobic hydrotalcite loaded bimetallic catalyst and oxidation catalysis application thereof 中国科学院兰州化学物理研究所苏州研究院 2020-11-03 CN disclosed