Fluoride

Fluoride

SCHEMBL2643534

F.Nc1ncc(-c2cccc(Nc3ccc(I)cc3[N+](=O)[O-])c2)cn1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CB P42338 2/20 0.40
LMNA P02545 1/20 0.40
HCAR3 P49019 1/20 0.40
WNK1 Q9H4A3 1/20 0.40
MAP4K4 O95819 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
AKR1B10 O60218 1/20 0.39
HPGD P15428 1/20 0.39

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 SCHEMBL27482913 0.87 L3MBTL1 (0.39) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL2643138 0.86 ALDH1A1 (0.43) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL2649499 0.81 HCAR3 (0.51) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL7820330 0.81 MAPT (0.40) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL7831824 0.80 TP53 (0.41) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL2644088 0.80 MEN1 (0.46) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL7304083 0.76 L3MBTL1 (0.68) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL2644119 0.74 HTT (0.50) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL7168043 0.72 TDP1 (0.72) MAPTTDP1POLBL3MBTL1MAPK1
SCHEMBL2643420 0.70 L3MBTL1 (0.41) MAPTTDP1POLBL3MBTL1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
CN-1072669-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEURORES AS (DK) 2001-10-10 CN disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
CN-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 CN disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed