SCHEMBL28310656

SCHEMBL28310656

CC(C(N)=O)C(C)(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
KIF11 P52732 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 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
SCHEMBL7880424 0.86 CYP1A2 (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL28773023 0.86 CYP1A2 (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL28239285 0.82 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL16314168 0.82 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL27518695 0.81 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL7683963 0.81 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL13868824 0.80 CYP2D6 (0.50) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL13091889 0.77 CYP1A2 (0.50) MAPTKMT2ACYP2D6CYP1A2HIF1A
SCHEMBL999658 0.74 CYP1A2 (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL27535137 0.73 CYP1A2 (0.44) MAPTKMT2ACYP2D6CYP1A2CYP2C19

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-110028422-A A kind of method of imidazole hydrochloride catalytic amino protection 重庆医科大学 2019-07-19 CN disclosed