SCHEMBL5162131

SCHEMBL5162131

C=Cc1cccc[n+]1C.FB(F)F

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.84
ACHE P22303 2/20 0.48
TSHR P16473 1/20 0.48
HRH1 P35367 1/20 0.48
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 4/20 0.43
PABPC1 P11940 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EIF4H Q15056 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CHAT P28329 1/20 0.40
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5162112 0.92 HDAC8 (0.78) HDAC8ACHETSHRHRH1PDE4D
SCHEMBL29961324 0.92
SCHEMBL589251 0.92
Iodide SCHEMBL997529 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Bromide SCHEMBL29392397 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Fluoride Ion SCHEMBL7937290 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Hydrochloric Acid SCHEMBL29438523 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Water SCHEMBL9445012 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Hydrochloric Acid SCHEMBL461720 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
Bromide SCHEMBL367171 0.90 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230548-B1 METHODS FOR THE QUANTITATION OF OXIDIZED GLUTATHIONE OXIS INT INC (US) 2007-02-14 EP claimed
US-6235495-B1 REDUCTION USING 1-METHYL-2-VINYLPYRIDINIUM SALT OXIS INTERNATIONAL, INC. 2001-05-22 US claimed
EP-1230548-B1 METHODS FOR THE QUANTITATION OF OXIDIZED GLUTATHIONE OXIS INT INC (US) 2007-02-14 EP disclosed
EP-1230548-A1 METHODS FOR THE QUANTITATION OF OXIDIZED GLUTATHIONE Oxis International, Inc. (US) 2002-08-14 EP disclosed
WO-2001035097-A1 METHODS FOR THE QUANTITATION OF OXIDIZED GLUTATHIONE OXIS INTERNATIONAL, INC. (US) 2001-05-17 WO disclosed