SCHEMBL20034450

SCHEMBL20034450

CC=C(O)[C@H](N)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](N)[C@@H](C)O)s2)s1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.58

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
SCHEMBL15042287 0.90 GLS (0.70) GLS
SCHEMBL21484756 0.83 GLS (0.68) GLS
SCHEMBL15042300 0.80 GLS (0.73) GLS
SCHEMBL22623447 0.74 GLS (0.61) GLS
SCHEMBL14987534 0.74 GLS (1.00) GLS
SCHEMBL15042286 0.74 GLS (0.77) GLS
SCHEMBL14987014 0.73 GLS (1.00) GLS
SCHEMBL15042448 0.72 GLS (1.00) GLS
SCHEMBL15042404 0.72 GLS (1.00) GLS
SCHEMBL14987612 0.71 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
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed