Acrylonitrile

Acrylonitrile

SCHEMBL9503153

C=CC#N.O=S(=O)(O)C=Cc1ccccc1.[NaH]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
NFE2L2 Q16236 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.36
PKM P14618 1/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 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
Acrylonitrile SCHEMBL2775898 0.98 PPARG (0.42) PPARGNFE2L2LMNAHTTKMT2A
Water SCHEMBL2263066 0.88 PPARG (0.50) PPARGNFE2L2LMNAHTTKMT2A
Butadiene SCHEMBL9339645 0.86 PPARG (0.46) PPARGNFE2L2LMNAHTTKMT2A
Water SCHEMBL27741929 0.86 PPARG (0.52) PPARGNFE2L2LMNAHTTKMT2A
SCHEMBL98229 0.86 PPARG (0.52) PPARGNFE2L2LMNAHTTKMT2A
SCHEMBL10823017 0.86 PPARG (0.52) PPARGNFE2L2LMNAHTTKMT2A
Styrene SCHEMBL1979409 0.84 TSHR (0.52) PPARGNFE2L2LMNAHTTKMT2A
Vinylsulfonic Acid SCHEMBL4370936 0.84 PPARG (0.47) PPARGNFE2L2LMNAHTTKMT2A
SCHEMBL28217339 0.84 PPARG (0.47) PPARGNFE2L2LMNAHTTKMT2A
Butadiene SCHEMBL1469580 0.84 PPARG (0.47) PPARGNFE2L2LMNAHTTKMT2A

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
US-5224292-A Fibrous mat for growing plants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-06 US disclosed
EP-0169690-B1 CYCLIZATION OF ACRYLIC FIBER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-13 EP disclosed
US-4603041-A CARBONIZATION, IMPREGNATION WITH AMMONIUM SALT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
EP-0169690-A2 Cyclization of acrylic fiber E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-29 EP disclosed
US-4238441-A Process for preparing acrylic polymer plexifilaments E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-12-09 US disclosed
US-4166091-A PRODUCTION OF PLEXIFILAMENT STRANDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-08-28 US disclosed