SCHEMBL22203296

SCHEMBL22203296

O=Cc1cn(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.79

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
SCHEMBL21907504 0.94 GLS (0.72) GLS
SCHEMBL17396794 0.90 GLS (0.86) GLS
SCHEMBL21908336 0.89 GLS (0.81) GLS
SCHEMBL17396953 0.89 GLS (0.84) GLS
SCHEMBL29753254 0.88 GLS (1.00) GLS
SCHEMBL17396919 0.88 GLS (0.86) GLS
SCHEMBL17396872 0.88 GLS (0.83) GLS
SCHEMBL17411849 0.88 GLS (1.00) GLS
SCHEMBL21908224 0.87 GLS (0.84) GLS
SCHEMBL19450907 0.87 GLS (0.84) 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