SCHEMBL29064848

SCHEMBL29064848

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.53
ALDH1A1 P00352 9/20 0.48
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSTM2 P28161 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL29580186 1.00 KAT2B (0.53) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL9771638 0.89 KAT2B (0.56) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL17819079 0.84 KAT2B (0.56) KAT2BALDH1A1POLBNPC1RAB9A
SCHEMBL29064877 0.82 KAT2B (0.50) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL4861914 0.82 KAT2B (0.72) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL1465402 0.82 KAT2B (0.50) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL29580949 0.82 KAT2B (0.50) KAT2BALDH1A1BCL6BCORPOLB
SCHEMBL21793740 0.81 HPGD (0.48) KAT2BALDH1A1POLBNPC1RAB9A
SCHEMBL1421193 0.81 KAT2B (0.52) KAT2BALDH1A1POLBNPC1RAB9A
SCHEMBL4619073 0.79 KAT2B (0.51) KAT2BALDH1A1POLBRAB9AMAPT

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