SCHEMBL31387299

SCHEMBL31387299

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2ccnn12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
LPL P06858 13/20 0.37
LIPG Q9Y5X9 13/20 0.37
FFAR1 O14842 1/20 0.35
ESR2 Q92731 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
F11 P03951 1/20 0.31

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
SCHEMBL24529304 0.81 SNCA (0.35) IRAK4LPLLIPGFFAR1CA1
SCHEMBL25236019 0.78 IRAK4 (0.34) IRAK4LPLLIPGFFAR1
SCHEMBL23998384 0.75 ALDH1A1 (0.37) IRAK4LPLLIPGFFAR1CA1
SCHEMBL22650435 0.73 LPL (0.42) IRAK4LPLLIPGFFAR1
SCHEMBL24387013 0.72 LPL (0.30) LPLLIPGFFAR1
SCHEMBL31489565 0.69 LPL (0.33) IRAK4LPLLIPG
SCHEMBL517499 0.69 LPL (0.52) LPLLIPGFFAR1ESR2CA1
SCHEMBL21630705 0.68 LPL (0.35) IRAK4LPLLIPGFFAR1
SCHEMBL17492388 0.68 LPL (0.46) IRAK4LPLLIPGFFAR1ESR2
SCHEMBL24529390 0.67 NPC1 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
WO-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 WO disclosed