SCHEMBL29670353

SCHEMBL29670353

COc1ccc(Cn2c(C)nnc2-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.51
▸ GLA P06280 1/20 0.51
▸ GFER P55789 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ ENPP2 Q13822 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TP53 P04637 3/20 0.44
▸ DCTPP1 Q9H773 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL30071654 0.83 GAA (0.60) GAAGLAGFERALDH1A1KDM4E
SCHEMBL24484076 0.83 GAA (0.54) GAAGLAGFERALDH1A1KDM4E
SCHEMBL1628544 0.79 GAA (0.50) GAAGLAGFERALDH1A1KDM4E
SCHEMBL29670186 0.75 CA1 (0.46) GAAGFERCA1CA2ENPP2
SCHEMBL31510674 0.74 MEN1 (0.72) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL31510780 0.73 CYP19A1 (0.55) CA1CA2ENPP2ALDH1A1MEN1
SCHEMBL24470004 0.73 CA1 (0.44) GAAGFERCA1CA2ENPP2
SCHEMBL17982136 0.72 ALDH1A1 (0.54) GAAGLAGFERALDH1A1KDM4E
SCHEMBL24484080 0.72 SNCA (0.48) GAAGLAGFERALDH1A1KDM4E
SCHEMBL257917 0.72 CA2 (0.86) CA1CA2ENPP2SMN1; SMN2TP53

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
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
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