Acetonitrile

Acetonitrile

SCHEMBL18093207

CC#N.CCn1cc[n+](C)c1.F[B-](F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FDPS P14324 2/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
PON1 P27169 1/20 0.30

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
Acetonitrile SCHEMBL14637715 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HTTMEN1APAF1NPC1
Acetonitrile SCHEMBL16770079 0.97 SMN1; SMN2 (0.40) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL9931725 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL6750309 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL14859660 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL60789 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL8169330 0.91 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL2149004 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HTTMEN1APAF1NPC1
SCHEMBL899263 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HTTMEN1APAF1NPC1
Acetonitrile SCHEMBL28897352 0.89 SMN1; SMN2 (0.42) SMN1; SMN2HTTMEN1APAF1NPC1

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
CN-107735360-B Dispersion liquid of porous graphene material and application thereof 加利福尼亚大学董事会 2022-01-28 CN disclosed
US-10692660-B2 Three-dimensional graphene framework-based high-performance supercapacitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-23 US disclosed
EP-3066675-B1 THREE-DIMENSIONAL GRAPHENE FRAMEWORK-BASED HIGH-PERFORMANCE SUPERCAPACITORS UNIV CALIFORNIA (US) 2020-04-29 EP disclosed
US-20160284481-A1 THREE-DIMENSIONAL GRAPHENE FRAMEWORK-BASED HIGH-PERFORMANCE SUPERCAPACITORS NATIONAL SCIENCE FOUNDATION 2016-09-29 US disclosed