Acetonitrile

Acetonitrile

SCHEMBL28436657

CC#N.CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
HSP90AA1 P07900 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
APAF1 O14727 1/20 0.61
NPC1 O15118 1/20 0.61
PLA2G1B P04054 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
FDPS P14324 16/20 0.35
PON1 P27169 1/20 0.32

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
SCHEMBL19612080 0.92 MEN1 (0.71) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Acetonitrile SCHEMBL28383941 0.91 MEN1 (0.61) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28507262 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28502544 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL31251863 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Lithium SCHEMBL31251879 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL22075520 0.87 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Methylene Chloride SCHEMBL21803802 0.87 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL25364332 0.87 MEN1 (0.80) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL30488990 0.87 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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-108862263-B Method for preparing biological-like three-dimensional micro-nano porous graphene based on electrochemical oxidation reduction 浙江大学 2020-06-30 CN disclosed