SCHEMBL28358355

SCHEMBL28358355

CCCCn1cc[n+](CCC)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
HSP90AA1 P07900 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FDPS P14324 16/20 0.46
APAF1 O14727 1/20 0.45
NPC1 O15118 1/20 0.45
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
PON1 P27169 1/20 0.41

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
SCHEMBL28214032 0.93 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL899122 0.93 MEN1 (0.53) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28708449 0.92 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Bromide SCHEMBL28420546 0.91 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL960557 0.91 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Iodide SCHEMBL1758470 0.91 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28675813 0.90 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28308831 0.90 MEN1 (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28349880 0.90 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL28708452 0.88 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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-110743615-B Multi-component metal catalyst for synthesizing vinyl chloride monomer and preparation method thereof 浙江工业大学 2022-04-19 CN disclosed
CN-110743615-A Multi-component metal catalyst for synthesizing vinyl chloride monomer and preparation method thereof 浙江工业大学 2020-02-04 CN disclosed