Fluoride

Fluoride

SCHEMBL9841293

CCc1ccc(COc2ccc([S])cc2)cc1.CCc1ccc(COc2ccc([S])cc2)cc1.CCc1ccc(COc2ccc([S])cc2)cc1.CCc1ccc(COc2ccc([S])cc2)cc1.CCc1ccc(COc2ccc([S])cc2)cc1.F.F.F.F.F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
SOD1 P00441 1/20 0.50
APP P05067 8/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Fluoride SCHEMBL9841601 0.89 NQO1 (0.54) RXRARXRBAPPTDP1L3MBTL1
Fluoride SCHEMBL9841619 0.85 APP (0.49) APPSMN1; SMN2
Fluoride SCHEMBL9841526 0.85 HRH3 (0.48) APPHRH3MAOB
Fluoride SCHEMBL9841316 0.85 APP (0.49) APPL3MBTL1HRH3
Fluoride SCHEMBL9841773 0.82 HRH3 (0.52) HRH3KMT2AMEN1SMN1; SMN2
Fluoride SCHEMBL9841299 0.82 NR5A1 (0.54) APPHRH3NPC1RAB9A
Fluoride SCHEMBL9841357 0.81 HRH3 (0.58) L3MBTL1HRH3RAB9AKMT2AMEN1
Fluoride SCHEMBL9841296 0.81 NR5A1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Fluoride SCHEMBL9841761 0.81 NR5A1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Fluoride SCHEMBL3782861 0.81 TP53 (0.48) TDP1L3MBTL1SMN1; SMN2

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
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed