SCHEMBL29064836

SCHEMBL29064836

CC(C)(C)N(C(=O)O)c1ccc(-c2cccnc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.46
MKNK2 Q9HBH9 10/20 0.46
KMO O15229 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
DYRK1A Q13627 1/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
KIF11 P52732 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL650663 0.85 MAPT (0.45) HDAC3HDAC1HDAC2MEN1
SCHEMBL29064874 0.81 TP53 (0.48) MKNK1MKNK2KMOPIM1PIM2
SCHEMBL19384226 0.76 CYP2A6 (0.44) MKNK1MKNK2KMOMEN1SLC22A12
SCHEMBL653107 0.74 KCNH2 (0.49) HDAC1
SCHEMBL650413 0.74 KCNH2 (0.51) HDAC3HDAC1HDAC2
SCHEMBL13522906 0.73 MKNK1 (0.60) MKNK1MKNK2KMOPIM1PIM2
SCHEMBL1512084 0.71 KEAP1 (0.42) HDAC3HDAC1HDAC2
SCHEMBL4066046 0.70 HTT (0.44) HDAC1
SCHEMBL247809 0.70 KDM4E (0.38) HDAC3HDAC1HDAC2MEN1
SCHEMBL27502701 0.70 MKNK1 (0.46) MKNK1MKNK2HDAC3HDAC1HDAC2

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