SCHEMBL28229999

SCHEMBL28229999

CCCCCCCCn1cc[n+](C(CC)[Si](OCC)(OCC)OCC)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
PLA2G1B P04054 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
FDPS P14324 16/20 0.35
TBXAS1 P24557 1/20 0.33

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
Hydrochloric Acid SCHEMBL6286588 0.90 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL16320932 0.80 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL17746824 0.79 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL29025616 0.77
SCHEMBL29291041 0.75 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL19873297 0.74
SCHEMBL28526493 0.73 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL28280027 0.73
Hydrochloric Acid SCHEMBL508921 0.73
SCHEMBL28661590 0.72 MEN1 (0.41) 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-108333173-A Application of the Ionic Liquid Modified magnetic particle in the detection of micro or trace copper ion 河南科技学院 2018-07-27 CN claimed