SCHEMBL28815468

SCHEMBL28815468

CCC(=O)OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)s1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.77

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
SCHEMBL14987108 0.87 GLS (1.00) GLS
SCHEMBL14987002 0.86 GLS (1.00) GLS
SCHEMBL14987447 0.85 GLS (1.00) GLS
SCHEMBL14987437 0.83 GLS (1.00) GLS
SCHEMBL14987528 0.82 GLS (1.00) GLS
SCHEMBL14987641 0.81 GLS (1.00) GLS
SCHEMBL15042398 0.81 GLS (1.00) GLS
SCHEMBL16305184 0.81 GLS (1.00) GLS
SCHEMBL14987647 0.80 GLS (0.88) GLS
SCHEMBL14987451 0.80 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
CN-104220070-A HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC 2014-12-17 CN disclosed