Fluoride

Fluoride

SCHEMBL4741377

F.O=C1CC=Nc2ccccc21

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CES1 P23141 3/20 0.33
BCHE P06276 2/20 0.33
CDC25B P30305 2/20 0.33
MAOA P21397 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAOB P27338 2/20 0.32
CYP2A6 P11509 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
S100A4 P26447 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
APAF1 O14727 1/20 0.32
TERT O14746 1/20 0.32
NPC1 O15118 1/20 0.32
PLIN1 O60240 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL31116 0.98 MEN1 (0.35) MEN1KMT2ACES1BCHECDC25B
Iodide SCHEMBL7508635 0.96 S100A4 (0.34) MEN1KMT2ACES1BCHECDC25B
Hydrochloric Acid SCHEMBL3397921 0.96 MEN1 (0.33) MEN1KMT2ACES1BCHECDC25B
Hydrochloric Acid SCHEMBL3646726 0.96 MEN1 (0.33) MEN1KMT2ACES1BCHECDC25B
Fumaric Acid SCHEMBL4611826 0.84 KDM4E (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL28036587 0.83 CES1 (0.34) CES1NOTUMGAAL3MBTL1TDP1
SCHEMBL3590698 0.75 NOTUM (0.33) MEN1KMT2ACES1BCHECDC25B
SCHEMBL17994855 0.72 ACHE (0.31)
SCHEMBL27578793 0.72 TRPA1 (0.35) CES1BCHEMAOAALDH1A1MAOB
SCHEMBL27393692 0.72 IDO1 (0.34) MAOAMAOBIDO1

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
WO-2008096917-A1 REACTIVE ANTIBIOTICS AND ANTIBACTERIAL FIBER TREATED THEREBY KOLON INDUSTRIES, INC (KR) 2008-08-14 WO disclosed