Fluoride

Fluoride

SCHEMBL27482913

CN(C)c1ncc(-c2cccc(Nc3ccc(I)cc3[N+](=O)[O-])c2)cn1.F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
AKR1C4 P17516 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
AKR1C1 Q04828 3/20 0.39
MAPT P10636 2/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1B10 O60218 1/20 0.39
HPGD P15428 1/20 0.39
ALDH3A1 P30838 2/20 0.38
HCAR3 P49019 1/20 0.37
WNK1 Q9H4A3 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35

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 SCHEMBL2643534 0.87 MAPT (0.42) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5755261 0.83 L3MBTL1 (0.39) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2643138 0.82 ALDH1A1 (0.43) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7834274 0.82 AKR1B1 (0.36) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7828783 0.81 TP53 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL2644088 0.76 MEN1 (0.46) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2644119 0.73 HTT (0.50) L3MBTL1MAPTHPGDALDH1A1MEN1
SCHEMBL7304083 0.73 L3MBTL1 (0.68) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2649499 0.72 HCAR3 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7819742 0.69 KDM4E (0.40) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1

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-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 CN disclosed