SCHEMBL14604095

SCHEMBL14604095

c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 1.00
▸ GSK3A P49840 9/20 1.00
▸ TERT O14746 10/20 0.91
▸ AURKA O14965 1/20 0.78

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
SCHEMBL394120 0.95 TERT (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14604056 0.93 GSK3B (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14604221 0.88 TERT (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL392097 0.88 GSK3B (0.91) GSK3BGSK3ATERTAURKA
SCHEMBL14603718 0.87 GSK3A (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14604425 0.87 GSK3A (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14603849 0.87 GSK3B (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14604054 0.86 GSK3B (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14603984 0.86 GSK3A (1.00) GSK3BGSK3ATERTAURKA
SCHEMBL14603994 0.85 GSK3B (0.85) GSK3BGSK3ATERTAURKA

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-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 — — WO claimed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 — — WO disclosed
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