SCHEMBL28133636

SCHEMBL28133636

[N-]=[N+]=N/C(=C\CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.46
▸ GPR52 Q9Y2T5 11/20 0.41
▸ KEAP1 Q14145 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL28847179 0.87 GPR52 (0.43) GRIK1GPR52FFAR1
SCHEMBL28159928 0.87 GRIK1 (0.37) GRIK1SMN1; SMN2HDAC3HDAC6
SCHEMBL27791471 0.84 DAO (0.40) GRIK1GPR52SMN1; SMN2FFAR1
SCHEMBL28129210 0.83 FFAR1 (0.44) GPR52SMN1; SMN2ALDH1A1FFAR1
SCHEMBL27791502 0.83 CTSL (0.37) GRIK1ALDH1A1
SCHEMBL28847240 0.82 CTBP2 (0.47) GPR52HDAC1HDAC6ALDH1A1
SCHEMBL28159931 0.81 GPR52 (0.47) GPR52HDAC3HDAC4HDAC1HDAC7
SCHEMBL27812643 0.80 IDH1 (0.35) GRIK1GPR52
SCHEMBL28159929 0.79 ALDH1A1 (0.36) GPR52SMN1; SMN2ALDH1A1
SCHEMBL28168829 0.75 GPR52 (0.32) GPR52

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-106518724-A Method for synthesising azidophenylethyl acrylate 山东高洁环保科技有限公司 2017-03-22 — — CN disclosed
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