SCHEMBL31336063

SCHEMBL31336063

CC(C)(C)OC(=O)N1Cc2cccc(NCCc3ccncc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NAMPT P43490 7/20 0.42
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
GLS O94925 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
METAP2 P50579 1/20 0.39
PRKCI P41743 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
SCN9A Q15858 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.37
PDE10A Q9Y233 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL31335944 0.90 HTT (0.48) DDB1CRBNNAMPTMAPK1GPR119
SCHEMBL31335950 0.84 DDB1 (0.47) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL31013975 0.82 DDB1 (0.46) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL31335935 0.81 DDB1 (0.49) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL31335890 0.80 ACHE (0.48) DDB1CRBNNAMPTMAPK1GPR119
SCHEMBL17686920 0.79 DDB1 (0.47) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL31013972 0.78 DDB1 (0.52) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL15893731 0.78 DDB1 (0.52) DDB1CRBNNAMPTMAPK1GLS
SCHEMBL31336003 0.77 ABHD6 (0.47) DDB1CRBNNAMPTMAPK1SMN1; SMN2
SCHEMBL31335976 0.77 NAMPT (0.54) DDB1CRBNNAMPTMAPK1

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
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed