SCHEMBL29543837

SCHEMBL29543837

COc1ccc([C@H](OC)C(=O)Nc2nnc(N[C@@H]3CCN(c4cc(Cl)cnn4)C3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 1.00

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
SCHEMBL18946081 1.00 GLS (1.00) GLS
SCHEMBL18890330 1.00 GLS (1.00) GLS
SCHEMBL18890307 1.00 GLS (1.00) GLS
SCHEMBL18890313 1.00 GLS (1.00) GLS
SCHEMBL29543663 1.00 GLS (1.00) GLS
SCHEMBL18890331 0.92 GLS (1.00) GLS
SCHEMBL29543869 0.92 GLS (1.00) GLS
SCHEMBL29543847 0.92 GLS (1.00) GLS
SCHEMBL18890293 0.92 GLS (1.00) GLS
SCHEMBL18890322 0.92 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-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 — — CN disclosed
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