SCHEMBL29050693

SCHEMBL29050693

O=C(NC1CCNCC1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
SMYD3 Q9H7B4 6/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HDAC4 P56524 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
GRM5 P41594 1/20 0.49
EPHX1 P07099 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.48

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
SCHEMBL241356 0.90 HDAC4 (0.53) L3MBTL1SMYD3GAAALDH1A1GFER
SCHEMBL241357 0.90 HDAC4 (0.53) L3MBTL1SMYD3GAAALDH1A1GFER
SCHEMBL1544549 0.88 L3MBTL1 (0.61) L3MBTL1SMYD3GAAALDH1A1GFER
SCHEMBL11623816 0.83 L3MBTL1 (0.74) L3MBTL1GAAALDH1A1GFERGRM5
SCHEMBL594567 0.83 NPC1 (0.62) SMYD3HDAC4HDAC6HDAC3HDAC1
SCHEMBL8863954 0.81 ALDH1A1 (0.65) L3MBTL1SMYD3ALDH1A1HDAC6HDAC1
SCHEMBL23573442 0.81 CYP46A1 (0.56) L3MBTL1SMYD3GAAALDH1A1GFER
Hydrochloric Acid SCHEMBL994332 0.81 NPC1 (0.60) SMYD3HDAC4HDAC6HDAC3HDAC1
Water SCHEMBL22462471 0.81 NPC1 (0.60) SMYD3HDAC4HDAC6HDAC3HDAC1
SCHEMBL23573440 0.81 CYP46A1 (0.56) L3MBTL1SMYD3GAAALDH1A1GFER

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-116589452-A Myricetin derivative containing piperidine amide, preparation method and application 贵州大学 2023-08-15 CN disclosed