SCHEMBL31409652

SCHEMBL31409652

CC(C)(C)OC(=O)Nc1nc(CCc2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 3/20 0.47
SIRT1 Q96EB6 1/20 0.46
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL24434982 0.86 AOC3 (0.53) AOC3MAOBSIRT1LMNA
SCHEMBL944485 0.80 PI4KB (0.51) AOC3HDAC1SIRT1LMNA
SCHEMBL12742401 0.80 PTPRB (0.49) AOC3HDAC1SIRT1LMNA
SCHEMBL6495932 0.78 AOC3 (0.54) AOC3HDAC1HDAC6MAOBSIRT1
SCHEMBL2668827 0.78 SIRT1 (0.48) AOC3HDAC1SIRT1LMNA
SCHEMBL13033265 0.78 SIRT1 (0.49) HDAC1SIRT1LMNA
SCHEMBL972059 0.78 AOC3 (0.60) AOC3MAOBLMNA
SCHEMBL973715 0.78 AOC3 (0.60) AOC3MAOBLMNA
SCHEMBL972993 0.78 AOC3 (0.60) AOC3MAOBLMNA
SCHEMBL1030124 0.77 PI4KB (0.50) HDAC1SIRT1LMNA

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed