SCHEMBL22203537

SCHEMBL22203537

CNC(=O)c1cn(C[C@@H](F)CCc2nnc(NC(=O)CC3CCCN(C(=O)OC(C)(C)C)C3)s2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 1.00

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
SCHEMBL17412290 1.00 GLS (1.00) GLS
SCHEMBL17419859 0.85 GLS (0.74) GLS
SCHEMBL21907588 0.80 GLS (0.67) GLS
SCHEMBL15043796 0.80 GLS (1.00) GLS
SCHEMBL15043819 0.78 GLS (1.00) GLS
SCHEMBL21325806 0.72 GLS (0.68) GLS
SCHEMBL17411686 0.71 GLS (1.00) GLS
SCHEMBL14987276 0.70 GLS (0.78) GLS
SCHEMBL22203330 0.70 GLS (0.58) GLS
SCHEMBL29753356 0.70 GLS (0.73) 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-3677579-A1 HETEROCYCLIC GLS1 INHIBITORS Board of Regents, The University of Texas System (US) 2020-07-08 — — EP disclosed
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