Acetonitrile

Acetonitrile

SCHEMBL6671920

CC#N.CNc1ccc(OC)cc1

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.54
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 8/20 0.52
NR4A1 P22736 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HPGD P15428 2/20 0.46

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
SCHEMBL161436 0.89 RAB9A (0.67) GAAMAPTRAB9AKDM4ETDP1
Hydrochloric Acid SCHEMBL163829 0.86 GAA (0.64) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL28663846 0.86 GAA (0.56) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL13127250 0.82 MAPT (0.58) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL13107871 0.82 MAPT (0.58) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL20123327 0.82 MAPT (0.81) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL24947672 0.81 APP (0.59) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL13127241 0.78 SAE1 (0.65) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL29113884 0.78 MAPT (0.54) GAAMAPTRAB9AKDM4ETDP1
SCHEMBL6374784 0.77 TRPA1 (0.61) RAB9AKDM4ENPC1ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174419-B1 A method for producing an alpha-aminonitrile from a tertiary amine and a cyanide through oxidation with oxygen by using a transition metal catalyst UNIV OSAKA (JP) 2004-10-06 EP disclosed
US-6486340-B2 Method for producing an α-aminonitrile from a tertiary anime and a cyanide through oxidation with oxygen by using a transition metal catalyst OSAKA UNIVERSITY (JP) 2002-11-26 US disclosed
US-20020042534-A1 Method for producing an alpha-aminonitrile from a tertiary anime and a cyanide through oxidation with oxygen by using a transition metal catalyst OSAKA UNIVERSITY (JP) 2002-04-11 US disclosed
EP-1174419-A1 A method for producing an alpha-aminonitrile from a tertiary amine and a cyanide through oxidation with oxygen by using a transition metal catalyst OSAKA UNIVERSITY (JP) 2002-01-23 EP disclosed