SCHEMBL3439556

SCHEMBL3439556

O=C(O)[C@H](CS)NSSN[C@@H](CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ACE P12821 2/20 0.47
▸ FOLH1 Q04609 3/20 0.44
▸ PTGS1 P23219 1/20 0.39
▸ SLC7A11 Q9UPY5 1/20 0.39
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ENPEP Q07075 2/20 0.34
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ RIMKLA Q8IXN7 1/20 0.32

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
SCHEMBL6419583 0.83 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3458343 0.83 — —
SCHEMBL23152669 0.83 — —
SCHEMBL6575662 0.81 — —
SCHEMBL20508886 0.81 — —
SCHEMBL2991432 0.81 — —
SCHEMBL29350329 0.80 PTGS1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2597732 0.78 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
Hydrogen Sulfide SCHEMBL2230859 0.78 FOLH1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL157552 0.78 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1

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
US-7807399-B2 Methods for detecting thiol-containing nucleotide diphosphates with thiol-reactive fluorescent reagents MARQUETTE UNIVERSITY (US) 2010-10-05 — — US disclosed
US-20090325179-A1 Methods for Detecting Thiol-Containing Nucleotide Diphosphates with Thiol-Reactive Fluorescent Reagents MARQUETTE UNIVERSITY (US) 2009-12-31 — — US disclosed
US-7585643-B2 Reacting a mixture that contains an ATP analog such as ATP beta S to form an ADP analog such as ADP beta S if kinase activity is present in the mixture MARQUETTE UNIVERSITY (US) 2009-09-08 — — US disclosed
US-20070054343-A1 Use of thiol-reactive reagents for detecting enzyme activity MARQUETTE UNIVERSITY 2007-03-08 — — US disclosed
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