SCHEMBL21443339

SCHEMBL21443339

O=C(Nc1nnc(CCSCCc2nnc(NC(=O)OC3CCC(C4CCCC4)CC3)s2)s1)OC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.60
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL15724897 0.94 GLS (0.67) GLSALDH1A1HPGDHSD17B10
SCHEMBL17655079 0.86 GLS (0.71) GLSALDH1A1HSD17B10
SCHEMBL14987619 0.76 GLS (1.00) GLSALDH1A1HPGDHSD17B10
SCHEMBL21369061 0.76 GLS (0.78) GLSALDH1A1HPGDHSD17B10
SCHEMBL15042405 0.74 GLS (0.88) GLSALDH1A1
SCHEMBL14987651 0.73 RECQL (0.76) GLSALDH1A1HPGDHSD17B10
SCHEMBL14986996 0.72 GLS (0.90) GLSALDH1A1
SCHEMBL21443392 0.72 GLS (0.65) GLS
SCHEMBL14987284 0.71 GLS (0.79) GLS
SCHEMBL21443507 0.70 GLS (0.55) 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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