SCHEMBL31335952

SCHEMBL31335952

C=CC(=O)Nc1cccc2c1CN(C(=O)c1c(C)cc(O)cc1O)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 8/20 0.42
SPR P35270 1/20 0.37
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
NAMPT P43490 1/20 0.36
EGFR P00533 1/20 0.36
HSP90B1 P14625 4/20 0.35
CYP3A4 P08684 2/20 0.35
ACHE P22303 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
VCP P55072 1/20 0.34
KRAS P01116 1/20 0.34

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
SCHEMBL31335970 0.86 TRAP1 (0.46) TRAP1SPRHSP90AA1HSP90AB1NAMPT
SCHEMBL31335814 0.84 TRAP1 (0.38) TRAP1EGFRVCP
SCHEMBL31335551 0.83 TRAP1 (0.49) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL25253974 0.81 TGM2 (0.39) TRAP1NAMPTEGFRHSP90B1
SCHEMBL30970470 0.81 TGM2 (0.39) TRAP1NAMPTEGFRHSP90B1
SCHEMBL25212259 0.80 TGM2 (0.37) TRAP1HSP90AA1HSP90B1VCP
SCHEMBL30970494 0.80 TGM2 (0.37) TRAP1HSP90AA1HSP90B1VCP
SCHEMBL31335962 0.80 TRAP1 (0.41) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31335732 0.77 HSP90AA1 (0.44) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL25250614 0.76 NAMPT (0.34) TRAP1HSP90AA1NAMPTEGFRHSP90B1

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 4 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 claimed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO claimed
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