SCHEMBL29064877

SCHEMBL29064877

O=[N+]([O-])c1c(Cl)cccc1NCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.50
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCL6 P41182 2/20 0.42
BCOR Q6W2J9 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSTM2 P28161 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL29580949 1.00 KAT2B (0.50) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL10480286 0.91 KAT2B (0.46) KAT2BALDH1A1MAPTTSHRMAPK1
SCHEMBL9771638 0.89 KAT2B (0.56) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL17819071 0.84 KAT2B (0.52) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL29580186 0.82 KAT2B (0.53) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL29064848 0.82 KAT2B (0.53) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4861914 0.82 KAT2B (0.72) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL1465402 0.82 KAT2B (0.50) KAT2BALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL9036783 0.81 ALDH1A1 (0.48) KAT2BALDH1A1MAPTBCL6BCOR
SCHEMBL4619073 0.79 KAT2B (0.51) KAT2BALDH1A1MAPTKDM4EGAA

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-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed