Acrylamide

Acrylamide

SCHEMBL27983829

Brc1ccc(Cn2ccc3ccccc32)cc1.C=CC(N)=O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57
▸ PLAU P00749 2/20 0.56
▸ HTR6 P50406 1/20 0.56
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MGLL Q99685 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
Acrylamide SCHEMBL27983435 0.85 PLAU (0.54) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL6087734 0.85 HTR6 (0.70) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL31258083 0.85 HTR6 (0.70) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL12472875 0.78 PLAU (0.74) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL10874579 0.75 HTR6 (0.64) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL6191822 0.74 HDAC1 (0.63) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL1749348 0.74 HDAC1 (0.72) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL12472826 0.73 HDAC6 (1.00) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL14338710 0.73 HTR6 (1.00) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL27422334 0.73 HTR6 (0.70) HDAC8HDAC1HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130176-A 1, 5-disubstituted indolone derivative and application thereof UNIV TIANJIN SCIENCE & TECH 2014-11-05 — — CN claimed
CN-104130176-A 1, 5-disubstituted indolone derivative and application thereof UNIV TIANJIN SCIENCE & TECH 2014-11-05 — — CN disclosed
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