Fluoride

Fluoride

SCHEMBL29135589

F.O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
ALDH1A1 P00352 7/20 0.61
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.50
PTGIR P43119 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL3328543 0.97 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4163474 0.97 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934655 0.95 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.95 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL2818369 0.91 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL5140929 0.91 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL268150 0.89 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL161647 0.87 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11453922 0.87 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6577902 0.87 ACHE (0.75) MAPTMEN1KMT2AALDH1A1MAPK1

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-117105830-A Fluorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 CN claimed
CN-117105830-A Fluorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 CN disclosed