SCHEMBL31363779

SCHEMBL31363779

CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)nc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
MAPK14 Q16539 1/20 0.47
CYP17A1 P05093 2/20 0.47
RORC P51449 3/20 0.46
PSMB8 P28062 1/20 0.45
MAPKAPK2 P49137 6/20 0.44
MAP4K4 O95819 1/20 0.44
PRMT1 Q99873 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL30884737 0.88 NAMPT (0.49) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL5778192 0.88 NAMPT (0.49) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL1463135 0.85 NAMPT (0.47) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL20934804 0.85 NAMPT (0.47) NAMPTMAPK14CYP17A1RORCPSMB8
SCHEMBL30177374 0.84 NAMPT (0.46) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL19252482 0.84 NAMPT (0.46) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL6609814 0.83 NAMPT (0.52) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL31378805 0.83 KCNQ3 (0.53) NAMPTCYP17A1MAPKAPK2ATR
SCHEMBL376258 0.83 NAMPT (0.56) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL30208803 0.83 NAMPT (0.56) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed