SCHEMBL31706891

SCHEMBL31706891

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DEGS1 O15121 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ CYP17A1 P05093 1/20 0.36
▸ ATR Q13535 1/20 0.36

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
SCHEMBL24738932 0.86 GAA (0.45) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL30828305 0.86 RAB9A (0.55) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL282866 0.83 DEGS1 (0.51) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL31000170 0.83 GAA (0.42) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL23582651 0.81 GSK3B (0.43) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL31705856 0.80 GAA (0.55) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL31357577 0.78 HDAC1 (0.41) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL23582524 0.78 HDAC1 (0.41) GAAPOLBHDAC1PTGS1RAB9A
SCHEMBL540536 0.78 NAMPT (0.50) HDAC1RAB9ANAMPTGRIN2BGSK3B
SCHEMBL31292326 0.77 HDAC1 (0.41) GAAPOLBHDAC1PTGS1RAB9A

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-2025215082-A1 FUSED AZINES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-10-16 — — WO disclosed
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