SCHEMBL28708449

SCHEMBL28708449

CCCCC[n+]1ccn(CCCC)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G1B P04054 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
FDPS P14324 11/20 0.45

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
SCHEMBL28675813 0.98 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28001555 0.95 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28214032 0.95 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28708452 0.93 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL958426 0.93 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28675815 0.92 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28358355 0.92 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL413479 0.91 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL407576 0.91 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5289867 0.91 MEN1 (0.58) 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-112830907-B Method for preparing 5-hydroxymethylfurfural 中国科学院宁波材料技术与工程研究所 2022-03-22 CN claimed