Acrylonitrile

Acrylonitrile

SCHEMBL2138933

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL225081 0.89 ALDH1A1 (0.54) ALDH1A1GLATDP1HAO1HDAC3
SCHEMBL11416086 0.86 ALDH1A1 (0.39) ALDH1A1GLATDP1HAO1HDAC3
Acrylonitrile SCHEMBL4449071 0.85 MEN1 (0.49) ALDH1A1GLATDP1MAPTSMN1; SMN2
SCHEMBL3141759 0.84 GLA (0.51) ALDH1A1GLATDP1HAO1HDAC3
Methacrylic Acid SCHEMBL5902071 0.84 ALDH1A1 (0.53) ALDH1A1GLATDP1HAO1HDAC3
Acrylonitrile SCHEMBL7887387 0.83 MAPT (0.48) ALDH1A1GLATDP1HAO1HDAC3
Acrylonitrile SCHEMBL9067820 0.82 CYP3A4 (0.44) ALDH1A1GLATDP1HDAC3HDAC4
Acrylonitrile SCHEMBL29106928 0.81 LMNA (0.38) ALDH1A1GLATDP1HAO1HDAC3
Acrylonitrile SCHEMBL295503 0.81 KDM4E (0.47) ALDH1A1TDP1HDAC3EGFRMAOB
Acrylonitrile SCHEMBL3628806 0.80 PAM (0.46) ALDH1A1TDP1HDAC1MAPTSMN1; SMN2

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-107075240-B Polycarbonate resin composition containing polycarbonate-polyorganosiloxane copolymer and molded article thereof 出光兴产株式会社 2019-12-13 CN disclosed
US-8466225-B2 Aromatic polycarbonate resin composition and molded body thereof IDEMITSU KOSAN CO., LTD. (JP) 2013-06-18 US disclosed
US-20110065835-A1 AROMATIC POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2011-03-17 US disclosed