Acrylonitrile

Acrylonitrile

SCHEMBL6375424

C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC=CC(C=Cc1ccccc1)=CC#N

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PLIN1 O60240 2/20 0.37
RECQL P46063 2/20 0.37
PLIN5 Q00G26 2/20 0.37
ABHD5 Q8WTS1 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TNKS O95271 1/20 0.37

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
Acrylonitrile SCHEMBL11458975 1.00 KDM4E (0.37) KDM4ELMNAMAPTHDAC3HDAC4
SCHEMBL19309 0.97 LMNA (0.39) KDM4ELMNAMAPTHDAC3HDAC4
Butadiene SCHEMBL8991739 0.95 LMNA (0.38) KDM4ELMNAMAPTHDAC3HDAC4
Bicarbonate SCHEMBL278424 0.93 MAPT (0.43) LMNAMAPTHDAC3HDAC4HDAC1
Styrene SCHEMBL7168836 0.93 ALDH1A1 (0.41) KDM4ELMNAMAPTHDAC3HDAC4
Vinyl Chloride SCHEMBL10482333 0.93 LMNA (0.36) KDM4ELMNAMAPTHDAC3HDAC4
SCHEMBL6762042 0.91 MAOB (0.40) KDM4ELMNAMAPTHDAC3HDAC4
Phosphoric Acid SCHEMBL4366545 0.91 LMNA (0.39) KDM4ELMNAMAPTHDAC3HDAC4
SCHEMBL11206156 0.89 LMNA (0.33) KDM4ELMNAMAPTHDAC3HDAC4
SCHEMBL5141317 0.89 HDAC3 (0.47) LMNAMAPTHDAC3HDAC4HDAC1

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
US-20050207819-A1 Method and marking instrument for gaming playslips MOSIER ALVIN D 2005-09-22 US claimed