SCHEMBL21907950

SCHEMBL21907950

CNC(=O)c1cn(CCCCN/C=C(/C)N)nn1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.45
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL21907715 0.76 GLS (0.64) GLS
SCHEMBL17411583 0.76 GLS (0.45) GLS
SCHEMBL22481985 0.74 GLS (0.48) GLS
SCHEMBL23011807 0.73 GLS (0.49) GLS
SCHEMBL17396737 0.71 GLS (0.61) GLS
SCHEMBL17411567 0.71 GLS (0.48) GLS
SCHEMBL19450894 0.70 GLS (0.45) GLSSMYD3
SCHEMBL15223713 0.69 GLS (0.46) GLS
SCHEMBL15223681 0.69 GLS (0.46) GLS
SCHEMBL28907232 0.69 GLS (0.57) 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