Acrylonitrile

Acrylonitrile

SCHEMBL8433141

C=C(C)C(=O)NCCN(C)C.C=CC#N

nearest known ligand 0.47

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
DNM1 Q05193 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HTR2C P28335 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
GLA P06280 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL21499 0.86 DNM1 (0.43) KDM4EDNM1CA1CA2CA12
Hydrochloric Acid SCHEMBL964769 0.84 DNM1 (0.42) KDM4EDNM1CA1CA2CA12
Chloromethane SCHEMBL1537206 0.83 DNM1 (0.41) KDM4EDNM1CA1CA2CA12
Acrylamide SCHEMBL18340334 0.82 ALDH1A1 (0.37) KDM4EDNM1CA1CA2CA12
Sulfuric Acid SCHEMBL38664813 0.80 DNM1 (0.39) KDM4EDNM1CA1CA2CA12
SCHEMBL5052709 0.80 KDM4E (0.53) KDM4EDNM1CA1CA2CA12
Sulfuric Acid SCHEMBL1240167 0.80 DNM1 (0.39) KDM4EDNM1CA1CA2CA12
SCHEMBL7636012 0.77 ALDH1A1 (0.43) KDM4EDNM1CA1CA2CA12
SCHEMBL7062741 0.77 KDM4E (0.37) KDM4EDNM1CA1CA2CA12
SCHEMBL7089812 0.76 TSHR (0.42) KDM4EDNM1ALDH1A1MAPTHTR2C

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
EP-0959117-A1 Energy beam curable hydrophilic pressure sensitive adhesive composition and use thereof Lintec Corporation (JP) 1999-11-24 EP disclosed