SCHEMBL28229997

SCHEMBL28229997

CCCCCCCC[n+]1ccn(CCC[Si](OCC)(OCC)OCC)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
FDPS P14324 12/20 0.37

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 SCHEMBL6286595 0.89 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL31096257 0.87 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18335646 0.86 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18335631 0.86 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18335633 0.86 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18335663 0.86 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL15561445 0.86 PON1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28675813 0.84 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28001555 0.84 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL18335632 0.84 MEN1 (0.46) 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