SCHEMBL21907712

SCHEMBL21907712

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

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.67
DDT P30046 1/20 0.54

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
SCHEMBL21907427 0.87 GLS (0.73) GLS
SCHEMBL21907519 0.87 GLS (0.69) GLSDDT
SCHEMBL22203296 0.86 GLS (0.79) GLS
SCHEMBL21907504 0.85 GLS (0.72) GLS
SCHEMBL17419989 0.84 GLS (0.88) GLS
SCHEMBL29752676 0.84 GLS (0.88) GLS
SCHEMBL17390585 0.81 GLS (0.62) GLSDDT
SCHEMBL17411620 0.81 GLS (0.81) GLS
SCHEMBL17411857 0.81 GLS (1.00) GLS
SCHEMBL29752878 0.81 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