SCHEMBL22401445

SCHEMBL22401445

COc1ccc(C(OC[C@H]2C[C@@H](Oc3ccncn3)C[C@H]2O[PH](=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ TYMP P19971 1/20 0.33

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
SCHEMBL23456103 1.00 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL23456083 0.88 SLC6A1 (0.33) SLC6A1SLC6A11TYMP
SCHEMBL23455989 0.85 NAE1 (0.40) SLC6A1SLC6A11TYMP
SCHEMBL23456159 0.84 SLC6A1 (0.30) SLC6A1SLC6A11TYMP
SCHEMBL22401411 0.83 EGFR (0.44) —
SCHEMBL23456264 0.83 EGFR (0.44) —
SCHEMBL23456080 0.79 NAE1 (0.36) —
SCHEMBL30164249 0.79 NAE1 (0.36) —
SCHEMBL24165806 0.79 NAE1 (0.36) —
SCHEMBL23456008 0.78 TYMP (0.36) SLC6A1SLC6A11TYMP

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-3707151-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2020-09-16 — — EP disclosed
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