Fluoride

Fluoride

SCHEMBL27401565

F.F.F.O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1ccccc1F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.56
PTPRC P08575 1/20 0.56
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 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
SCHEMBL15380368 0.93 S100A4 (0.56) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL27735808 0.86 S100A4 (0.50) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL30520118 0.84 S100A4 (0.47) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL13418991 0.82 TDP1 (0.59) S100A4PTPRCMAPTKMT2ATDP1
SCHEMBL12479506 0.81 TDP1 (0.48) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL27756532 0.80 S100A4 (0.50) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL11901648 0.80 S100A4 (0.50) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL31717182 0.78 TSHR (0.46) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL28048984 0.78 TDP1 (0.53) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL5828 0.78 TDP1 (0.56) MAPTKMT2ARECQLTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250539-C Intermediate for preparing 1-[halogenarylradical] heterocyclic pesticide compound RHONE POULENE AGROCH IMIE (FR) 2006-04-12 CN disclosed
CN-1087735-C Process for preparing 1- (haloaryl) heterocyclic pesticidal compounds RHONE POULENC AGROCHIMIE (FR) 2002-07-17 CN disclosed
CN-1330072-A Intermediate for preparing 1-[halogenarylradical] heterocyclic pesticide compound RHONE POULENC AGROCHIMIE (FR) 2002-01-09 CN disclosed
CN-1182080-A Process for preparing 1- (haloaryl) heterocyclic pesticidal compounds RHONE POULENC AGROCHIMIE (FR) 1998-05-20 CN disclosed