SCHEMBL21443372

SCHEMBL21443372

O=C(Cc1ccccc1)Nc1nnc(CCSCCC(=O)Nc2nnc(Cc3ccccc3)s2)s1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.83

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
SCHEMBL2640644 0.91 GLS (1.00) GLS
SCHEMBL21443368 0.88 GLS (0.88) GLS
SCHEMBL12027279 0.86 GLS (0.77) GLS
SCHEMBL14987614 0.85 GLS (1.00) GLS
SCHEMBL14987561 0.85 GLS (1.00) GLS
SCHEMBL14987420 0.85 GLS (0.79) GLS
SCHEMBL14977106 0.84 GLS (1.00) GLS
SCHEMBL20340835 0.84 GLS (0.86) GLS
SCHEMBL14986960 0.83 GLS (0.76) GLS
SCHEMBL14987469 0.83 GLS (1.00) 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