SCHEMBL21907588

SCHEMBL21907588

CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)CCC3CCCN(C(O)OC(C)(C)C)C3)s2)nn1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.67
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL22203537 0.80 GLS (1.00) GLS
SCHEMBL17412290 0.80 GLS (1.00) GLS
SCHEMBL17419859 0.71 GLS (0.74) GLS
SCHEMBL17411686 0.69 GLS (1.00) GLS
SCHEMBL17412104 0.69 GLS (0.73) GLS
SCHEMBL29753356 0.69 GLS (0.73) GLS
SCHEMBL21907606 0.69 GLS (0.66) GLS
SCHEMBL21325806 0.69 GLS (0.68) GLS
SCHEMBL17419827 0.69 GLS (0.70) GLS
SCHEMBL29752884 0.69 GLS (0.70) 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
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