SCHEMBL21443408

SCHEMBL21443408

O=C(CC1CCCCO1)Nc1nnc(CCSCCc2nnc(NC(=O)CC3CCCCO3)s2)s1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.67

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
SCHEMBL15724922 0.85 GLS (0.50) GLS
SCHEMBL14986996 0.83 GLS (0.90) GLS
SCHEMBL15042405 0.82 GLS (0.88) GLS
SCHEMBL14987443 0.80 GLS (1.00) GLS
SCHEMBL14987102 0.79 GLS (1.00) GLS
SCHEMBL21443355 0.78 GLS (0.45) GLS
SCHEMBL21360271 0.77 GLS (0.42) GLS
SCHEMBL14987619 0.76 GLS (1.00) GLS
SCHEMBL15482873 0.76 GLS (0.76) GLS
SCHEMBL14987261 0.75 GLS (0.83) 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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