Fluoride

Fluoride

SCHEMBL8043269

CC(=O)Nc1ccc([S])cc1.CC(=O)Nc1ccc([S])cc1.CC(=O)Nc1ccc([S])cc1.CC(=O)Nc1ccc([S])cc1.CC(=O)Nc1ccc([S])cc1.F.F.F.F.F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
BRD4 O60885 1/20 0.61
NR1I2 O75469 1/20 0.61
MB P02144 1/20 0.61
CYP1A1 P04798 1/20 0.61
CA3 P07451 1/20 0.61
CYP3A4 P08684 1/20 0.61
RARG P13631 1/20 0.61
TSHR P16473 1/20 0.61

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 SCHEMBL8043273 1.00 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL1203942 0.98 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.85 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11718858 0.79 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3818831 0.78 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11158565 0.78 MAPT (0.83) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9762638 0.77 SMN1; SMN2 (0.86) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL4899667 0.76 TDP1 (0.74) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
Acetaminophen SCHEMBL8937727 0.76 KMT2A (1.00) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL1488126 0.76 SMN1; SMN2 (0.70) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed