SCHEMBL18137309

SCHEMBL18137309

O=C(Cc1ccccc1Cl)NC1=CC=C(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)NN1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.68

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
SCHEMBL17087030 0.86 GLS (0.66) GLS
SCHEMBL16379545 0.86 GLS (0.73) GLS
SCHEMBL17087032 0.85 GLS (0.66) GLS
SCHEMBL18137192 0.85 GLS (0.64) GLS
SCHEMBL16384713 0.84 GLS (0.78) GLS
SCHEMBL19919995 0.84 GLS (0.72) GLS
SCHEMBL15782614 0.84 GLS (0.77) GLS
SCHEMBL16379547 0.84 GLS (0.68) GLS
SCHEMBL17087062 0.84 GLS (0.77) GLS
SCHEMBL18122527 0.84 GLS (0.77) 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-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 — — WO disclosed
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