Acrylonitrile

Acrylonitrile

SCHEMBL28403157

C=CC#N.COc1ccc(N)cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
BRCA1 P38398 1/20 0.45
HBB P68871 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NNMT P40261 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 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
SCHEMBL113293 0.84
SCHEMBL29536663 0.84
Formaldehyde SCHEMBL28810279 0.82 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1BRCA1
Hydrochloric Acid SCHEMBL5645807 0.82 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1BRCA1
Hydrochloric Acid SCHEMBL5649941 0.82 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL16835945 0.71 MKNK1 (0.51) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL2230245 0.71
SCHEMBL29896316 0.71
SCHEMBL7210973 0.70 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL30578438 0.69 MKNK1 (0.62) KDM4EMEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111118895-B Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2022-06-10 CN claimed
CN-111118895-A Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2020-05-08 CN claimed
CN-111118895-B Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2022-06-10 CN disclosed
CN-111118895-B Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2022-06-10 CN disclosed
CN-111118895-A Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2020-05-08 CN disclosed
CN-111118895-A Polyacrylonitrile-5-amino-2-methoxypyridine chelate fiber and synthetic method and application thereof 浙江工商大学 2020-05-08 CN disclosed