SCHEMBL23070460

SCHEMBL23070460

NC1CCN(c2nnc(NC(=O)Cc3ccccc3)s2)CC1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.80

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
SCHEMBL17654165 0.89 GLS (1.00) GLS
SCHEMBL19454305 0.87 GLS (0.90) GLS
SCHEMBL17654132 0.87 GLS (1.00) GLS
SCHEMBL17654078 0.86 GLS (0.93) GLS
SCHEMBL12244625 0.85 GLS (0.73) GLS
SCHEMBL17654103 0.85 GLS (1.00) GLS
SCHEMBL28452921 0.84 GLS (0.90) GLS
SCHEMBL26706154 0.84 GLS (0.89) GLS
SCHEMBL31550406 0.84 GLS (0.84) GLS
SCHEMBL17654174 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021042723-A1 GLUTAMINASE GLS1 INHIBITOR CONTAINING TRIAZOLE STRUCTURE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 中国药科大学 2021-03-11 — — WO disclosed
CN-110746416-A Glutaminase GLS1 inhibitor containing triazole structure or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2020-02-04 — — CN disclosed
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