SCHEMBL31387338

SCHEMBL31387338

[2H]C([2H])([2H])n1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SNCA P37840 1/20 0.37
EGFR P00533 2/20 0.34
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL907049 0.90 KDM4E (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL5137400 0.78 MAPT (0.49) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17113535 0.78 IRAK4 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17113584 0.78 LPL (0.41) IRAK4LPLLIPGIDO1TDO2
SCHEMBL31752127 0.77 IDO1 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL30928610 0.77 IDO1 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL31467299 0.76 ESR2 (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL31394882 0.76 LPL (0.43) IRAK4LPLLIPGIDO1TDO2
SCHEMBL23638441 0.75 FFAR1 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL23633173 0.75 LPL (0.36) IRAK4LPLLIPGIDO1TDO2

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-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 WO disclosed