Acetonitrile

Acetonitrile

SCHEMBL11081574

CC#N.CCNC(=O)c1c(C)nc2ccccc2c1O

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PREP P48147 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ERN1 O75460 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
TACR1 P25103 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11056730 0.75 PDE10A (0.67) KDM4EMEN1KMT2ATP53HSD17B10
Ethyl Acetate SCHEMBL11084099 0.74 KDM4E (0.52) KDM4EL3MBTL1NMT2NMT1MEN1
SCHEMBL538291 0.73 SMN1; SMN2 (0.69) KDM4ENMT2NMT1MEN1KMT2A
Acetonitrile SCHEMBL11086316 0.70 MEN1 (0.53) L3MBTL1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL11083265 0.70 ADORA3 (0.63) KDM4EMEN1KMT2ATP53SMN1; SMN2
SCHEMBL34468785 0.69 KDM4E (0.46) KDM4EPREPL3MBTL1MEN1KMT2A
SCHEMBL28304019 0.69 KMT2A (0.55) KDM4ENMT2NMT1MEN1KMT2A
SCHEMBL3087861 0.68 ADORA3 (0.65) L3MBTL1HSD17B10HTTHPGDRAB9A
SCHEMBL12903055 0.68 MEN1 (0.73) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL10969061 0.68 MAPT (0.55) KDM4EMEN1KMT2ATP53HSD17B10

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-4450167-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS ROUSSEL UCLAF (FR) 1984-05-22 US disclosed