Acetonitrile

Acetonitrile

SCHEMBL28897352

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 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
HTT P42858 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 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
SCHEMBL19612086 0.91 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL18093207 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL14637715 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL16770079 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Thiocyanic Acid SCHEMBL294220 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30785023 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30427141 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL28436657 0.83 MEN1 (0.61) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15734074 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanamide SCHEMBL2783590 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111661848-A Method for electrochemically preparing MXene 深圳瀚光科技有限公司 2020-09-15 CN disclosed
CN-111591991-A Device for electrochemically preparing MXene 深圳瀚光科技有限公司 2020-08-28 CN disclosed