SCHEMBL21908070

SCHEMBL21908070

CC(F)(I)c1ccnc(CNC(O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.70

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
SCHEMBL22203645 0.89 GLS (0.65) GLS
SCHEMBL22203583 0.88 GLS (0.63) GLS
SCHEMBL21908071 0.84 GLS (0.81) GLS
SCHEMBL17419897 0.84 GLS (0.92) GLS
SCHEMBL29753044 0.84 GLS (0.92) GLS
SCHEMBL17411765 0.82 GLS (1.00) GLS
SCHEMBL29752750 0.82 GLS (0.77) GLS
SCHEMBL17419809 0.82 GLS (0.77) GLS
SCHEMBL17411687 0.82 GLS (0.84) GLS
SCHEMBL17411889 0.81 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
EP-3164394-B1 GLS1 INHIBITORS FOR TREATING DISEASES UNIV TEXAS (US) 2020-04-01 — — EP disclosed
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