Cinnamonitrile

Cinnamonitrile

SCHEMBL27780975

C=COC(=O)O.N#C/C=C/c1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
LMNA P02545 6/20 0.39
MAPT P10636 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PLIN1 O60240 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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 SCHEMBL27987057 0.79 LMNA (0.46) LMNAMAPTHDAC3HDAC4HDAC1
Acrylonitrile SCHEMBL28162413 0.79 LMNA (0.46) LMNAMAPTHDAC3HDAC4HDAC1
Acrylonitrile SCHEMBL10482347 0.79 LMNA (0.40) LMNAMAPTHDAC3HDAC4HDAC1
Cinnamonitrile SCHEMBL28064832 0.79 KDM4E (0.47) ENPP2LMNAMAPTHDAC3HDAC4
Cinnamonitrile SCHEMBL996307 0.78 KDM4E (0.54) ENPP2LMNAMAPTHDAC3HDAC4
Cinnamonitrile SCHEMBL23933 0.78 KDM4E (0.54) ENPP2LMNAMAPTHDAC3HDAC4
Cinnamonitrile SCHEMBL23599 0.78 KDM4E (0.54) ENPP2LMNAMAPTHDAC3HDAC4
SCHEMBL11525986 0.78 MCL1 (0.40) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL10590262 0.77 MCL1 (0.40) LMNAMAPTHDAC3HDAC4HDAC1
Cinnamonitrile SCHEMBL27743399 0.77 ALDH1A1 (0.48) ENPP2LMNAMAPTHDAC3HDAC4

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
CN-101548425-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-09-30 CN disclosed