Acrylamide

Acrylamide

SCHEMBL28492072

C1=CNc2ccccc2C=C1.C=CC(N)=O

nearest known ligand 0.34

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SCN4A P35499 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
Carbamic Acid SCHEMBL28658378 0.87 MAPT (0.38) TSHRALDH1A1GAAMAPTLMNA
Oxalic Acid SCHEMBL8507926 0.82 MAPT (0.39) TSHRALDH1A1GAAMAPTMAPK1
SCHEMBL34259 0.81 GAA (0.48) GAAMAPT
Maleic Acid SCHEMBL4504225 0.81 ALDH1A1 (0.37) ALDH1A1GAAMAPTLMNANPC1
Fumaric Acid SCHEMBL4504232 0.81 ALDH1A1 (0.37) ALDH1A1GAAMAPTLMNANPC1
Water SCHEMBL4672877 0.79 GAA (0.46) GAAMAPTNPC1RAB9AHSD17B10
Ammonia Solution, Strong SCHEMBL4151802 0.79 GAA (0.46) GAAMAPT
SCHEMBL1787947 0.79 GAA (0.46) GAAMAPT
Bromide SCHEMBL10654286 0.79 GAA (0.46) GAAMAPT
Iodide SCHEMBL12466756 0.79 GAA (0.46) GAAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943911-B Acrylamidobenzazepine derivatives as GSK-3 beta inhibitors and uses thereof 复旦大学 2022-12-30 — — CN claimed
CN-111943911-B Acrylamidobenzazepine derivatives as GSK-3 beta inhibitors and uses thereof 复旦大学 2022-12-30 — — CN disclosed
CN-111943911-B Acrylamidobenzazepine derivatives as GSK-3 beta inhibitors and uses thereof 复旦大学 2022-12-30 — — CN disclosed
CN-111943911-A Acrylamidobenzazepine derivatives as GSK-3 beta inhibitors and their use 复旦大学 2020-11-17 — — CN disclosed
CN-111943911-A Acrylamidobenzazepine derivatives as GSK-3 beta inhibitors and their use 复旦大学 2020-11-17 — — CN disclosed
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