Fluoride

Fluoride

SCHEMBL7601046

B.F.F.c1ccc2oc(Cc3nc4ccccc4s3)nc2c1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
MAPT P10636 6/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
UBE2T Q9NPD8 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PDE10A Q9Y233 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7590542 0.97 SMN1; SMN2 (0.63) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL7601049 0.92 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL11328744 0.82 MAPT (0.48) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL12597396 0.81 LIPG (0.59) SMN1; SMN2MAPTTSHRLMNATP53
Fluoride SCHEMBL7598310 0.81 TP53 (0.75) SMN1; SMN2MAPTLMNATP53NPC1
Fluoride SCHEMBL7600822 0.81 UBE2T (0.66) SMN1; SMN2MAPTTSHRLMNANPC1
SCHEMBL3465479 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL226465 0.77 UBE2T (0.70) SMN1; SMN2MAPTTSHRLMNANPC1
SCHEMBL1420033 0.77 TP53 (0.81) SMN1; SMN2MAPTLMNATP53NPC1
Bromide SCHEMBL7601035 0.75 UBE2T (0.68) SMN1; SMN2MAPTTSHRLMNANPC1

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