Fluoride

Fluoride

SCHEMBL7600822

B.F.F.c1ccc2sc(Cc3nc4ccccc4s3)nc2c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.66
ASIC3 Q9UHC3 1/20 0.66
MAPT P10636 5/20 0.57
KMT2A Q03164 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPK1 P28482 1/20 0.56
PDE10A Q9Y233 1/20 0.56
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL226465 0.96 UBE2T (0.70) UBE2TASIC3MAPTKMT2AL3MBTL1
Bromide SCHEMBL7601035 0.94 UBE2T (0.68) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL7600826 0.88 UBE2T (0.61) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL1127709 0.84 UBE2T (0.61) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3MAPTL3MBTL1ALDH1A1
SCHEMBL6229545 0.81 SMN1; SMN2 (0.56) UBE2TASIC3MAPTKMT2AL3MBTL1
Fluoride SCHEMBL7601046 0.81 SMN1; SMN2 (0.60) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL24426123 0.79 UBE2T (0.51) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL12596792 0.79 PIK3CA (0.58) UBE2TASIC3MAPTKMT2AL3MBTL1
SCHEMBL2791997 0.79 UBE2T (0.66) UBE2TASIC3MAPTKMT2AL3MBTL1

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
EP-0747448-B1 Rigidized monomethine cyanine dyes UNIV CARNEGIE MELLON (US) 2002-11-06 EP disclosed
EP-0747448-A2 Rigidized monomethine cyanine dyes CARNEGIE-MELLON UNIVERSITY (US) 1996-12-11 EP disclosed