SCHEMBL17411567

SCHEMBL17411567

CNC(=O)c1cn(CCCCc2ccc(N)n2C)nn1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.48

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
SCHEMBL17396737 0.79 GLS (0.61) GLS
SCHEMBL17396742 0.74 GLS (0.61) GLS
SCHEMBL28175297 0.74 GLS (0.62) GLS
Trifluoroacetic Acid SCHEMBL17396909 0.73 GLS (0.56) GLS
SCHEMBL28907232 0.73 GLS (0.57) GLS
SCHEMBL23011807 0.72 GLS (0.49) GLS
SCHEMBL17396714 0.72 GLS (0.71) GLS
SCHEMBL21908269 0.71 GLS (0.67) GLS
SCHEMBL21907950 0.71 GLS (0.45) GLS
SCHEMBL17411583 0.71 GLS (0.45) 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
WO-2016004404-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed