Acrylonitrile

Acrylonitrile

SCHEMBL27745124

C=CC#N.O=C1C=C(c2ccccc2)C(=O)N1

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
KDM4E B2RXH2 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 6/20 0.33
ALDH1A1 P00352 5/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 4/20 0.32
PLA2G10 O15496 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE9A O76083 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
Styrene SCHEMBL8170034 0.93 ALDH1A1 (0.39) BACE1KDM4EL3MBTL1HPGDALDH1A1
Styrene SCHEMBL27894820 0.92 ALDH1A1 (0.38) BACE1KDM4EL3MBTL1HPGDALDH1A1
Styrene SCHEMBL19511683 0.90 ALDH1A1 (0.37) KDM4EL3MBTL1HPGDALDH1A1SIRT2
Styrene SCHEMBL27539728 0.89 ALDH1A1 (0.36) KDM4EALDH1A1SIRT2SIRT1SIRT3
Styrene SCHEMBL27894826 0.89 ALDH1A1 (0.36) KDM4EALDH1A1SIRT2SIRT1SIRT3
Butadiene SCHEMBL28109974 0.86 BACE1 (0.39) BACE1KDM4EL3MBTL1HPGDALDH1A1
Water SCHEMBL28751457 0.86 BACE1 (0.45) BACE1KDM4EHPGDALDH1A1MAOA
SCHEMBL28100183 0.84 BACE1 (0.41) BACE1KDM4EHPGDALDH1A1MAOA
Nitrogen SCHEMBL28375481 0.84 BACE1 (0.43) BACE1KDM4EHPGDALDH1A1MAOA
Ethylene SCHEMBL27950511 0.84 BACE1 (0.43) BACE1KDM4EHPGDALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101275006-A Preparation method of flame-retardant heat-resistant ABS special material PETROCHINA CO LTD (CN) 2008-10-01 CN claimed
CN-104356272-B The micro-suspension polymerization of styrene-N-phenylmaleimide-acrylonitrile SICHUAN ZHIJIANG ADVANCED MATERIALS CO., LTD. (CN) 2017-01-04 CN disclosed
CN-103087456-A Heat resistance ABS material and preparation method thereof HEFEI GENIUS NEW MAT CO LTD 2013-05-08 CN disclosed