SCHEMBL22401427

SCHEMBL22401427

COc1ccc(C(OC[C@H]2C[C@@H](Oc3cnccn3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 7/20 0.36
▸ UBA3 Q8TBC4 7/20 0.36
▸ TYMP P19971 1/20 0.36
▸ SLC6A1 P30531 2/20 0.35
▸ SLC6A11 P48066 1/20 0.35
▸ HTR1A P08908 5/20 0.35
▸ HTR7 P34969 5/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34

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
SCHEMBL23456069 1.00 NAE1 (0.36) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23455989 0.87 NAE1 (0.40) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456083 0.85 SLC6A1 (0.33) TYMPSLC6A1SLC6A11HTR1AHTR7
SCHEMBL23455982 0.84 HTR1A (0.33) TYMPSLC6A1SLC6A11HTR1AHTR7
SCHEMBL23455980 0.83 SLC6A11 (0.35) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL30960669 0.77 EGFR (0.48) NAE1UBA3
SCHEMBL23456613 0.77 EGFR (0.48) NAE1UBA3
SCHEMBL23456175 0.73 TYMP (0.37) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456248 0.73 TYMP (0.37) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456067 0.73 ACP1 (0.39) NAE1UBA3TYMPSLC6A1SLC6A11

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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