SCHEMBL21907413

SCHEMBL21907413

O=C(NCc1ccccc1)c1nnc(CCCCc2ccc(NC(=O)C(O)c3ccccc3)nn2)s1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.68

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
SCHEMBL17411838 1.00 GLS (0.68) GLS
SCHEMBL17411831 0.92 GLS (0.67) GLS
SCHEMBL21908223 0.92 GLS (0.67) GLS
SCHEMBL29753113 0.92 GLS (0.67) GLS
SCHEMBL17411834 0.85 GLS (0.75) GLS
SCHEMBL14987596 0.81 GLS (1.00) GLS
SCHEMBL15724934 0.80 GLS (0.65) GLS
SCHEMBL29753086 0.80 GLS (0.73) GLS
SCHEMBL17411832 0.80 GLS (0.73) GLS
SCHEMBL14987156 0.79 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-3164394-B1 GLS1 INHIBITORS FOR TREATING DISEASES UNIV TEXAS (US) 2020-04-01 EP disclosed