SCHEMBL21443392

SCHEMBL21443392

CC(C)OC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)OC(C)C)s2)s1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.65
▸ TSHR P16473 1/20 0.52

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
SCHEMBL15724912 0.82 TSHR (0.51) GLSTSHR
SCHEMBL14987651 0.82 RECQL (0.76) GLSTSHR
SCHEMBL14987158 0.79 GLS (1.00) GLS
SCHEMBL15042300 0.79 GLS (0.73) GLSTSHR
SCHEMBL14986989 0.79 GLS (1.00) GLS
SCHEMBL14987534 0.78 GLS (1.00) GLSTSHR
SCHEMBL21443484 0.77 GLS (0.73) GLS
SCHEMBL15042287 0.77 GLS (0.70) GLSTSHR
SCHEMBL21443384 0.76 GLS (0.71) GLS
SCHEMBL18122469 0.76 GLS (0.70) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
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