SCHEMBL22401404

SCHEMBL22401404

COc1ccc(C(OC[C@H]2C[C@@H](Nc3ccncn3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.39
▸ NAE1 Q13564 8/20 0.39
▸ UBA3 Q8TBC4 8/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TYMP P19971 1/20 0.37
▸ SLC6A1 P30531 2/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ SAE1 Q9UBE0 7/20 0.34
▸ UBA2 Q9UBT2 7/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ ADORA3 P0DMS8 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
SCHEMBL23456067 1.00 ACP1 (0.39) ACP1NAE1UBA3CYP1A2CYP3A4
SCHEMBL23456248 0.88 TYMP (0.37) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456027 0.86 TYMP (0.36) NAE1UBA3CYP1A2TYMPSLC6A1
SCHEMBL23456278 0.85 NAE1 (0.41) ACP1NAE1UBA3CYP1A2CYP3A4
SCHEMBL22401442 0.85 NAE1 (0.41) ACP1NAE1UBA3CYP1A2CYP3A4
SCHEMBL23456033 0.83 NAE1 (0.40) NAE1UBA3TYMPSAE1UBA2
SCHEMBL23456015 0.83 TYMP (0.37) ACP1NAE1UBA3CYP1A2CYP3A4
SCHEMBL23455989 0.80 NAE1 (0.40) NAE1UBA3TYMPSLC6A1SLC6A11
SCHEMBL23456070 0.79 NAE1 (0.34) NAE1UBA3HTTSMN1; SMN2TYMP
SCHEMBL23456061 0.79 TYMP (0.36) NAE1UBA3SMN1; SMN2TYMPSLC6A1

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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