Fluoride

Fluoride

SCHEMBL28043451

B.CCn1ccnc1C.F.F.F.F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.44
FDPS P14324 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALPL P05186 2/20 0.39
ALPG P10696 2/20 0.39
ALPI P09923 1/20 0.39
PLAA Q9Y263 1/20 0.39
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
AGER Q15109 1/20 0.38

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
SCHEMBL486434 0.95
Iodide SCHEMBL4268734 0.93
Hydrochloric Acid SCHEMBL1202962 0.93
Hydrogen Sulfide SCHEMBL28101812 0.93
Bromide SCHEMBL1237833 0.93
Hydrochloric Acid SCHEMBL4416924 0.91 KMT2A (0.59) KMT2AALDH1A1POLBTSHRFDPS
Hydrochloric Acid SCHEMBL4416931 0.91 KMT2A (0.59) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL28163238 0.87 ALDH1A1 (0.55) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL28437177 0.87 KMT2A (0.55) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL7262138 0.85 ALDH1A1 (0.58) KMT2AALDH1A1POLBTSHRFDPS

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-105064078-A Reactive dye non-aqueous medium dyeing and soaping method GUANGDONG ESQUEL TEXTILES CO 2015-11-18 CN disclosed