SCHEMBL31335781

SCHEMBL31335781

C=CC(=O)N(C)c1cccc2c1CN(C(=O)c1c(O)cc(O)c(C)c1C)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.39
SPR P35270 1/20 0.37
HSP90AB1 P08238 5/20 0.36
HSP90AA1 P07900 8/20 0.36
HSP90B1 P14625 5/20 0.36
BTK Q06187 2/20 0.33

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
SCHEMBL31335618 0.91 SPR (0.39) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL25216773 0.89 TRAP1 (0.38) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL30970481 0.89 TRAP1 (0.38) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL31335962 0.87 TRAP1 (0.41) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL31335822 0.85 TRAP1 (0.36) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL31335751 0.85 TRAP1 (0.40) TRAP1SPRHSP90B1
SCHEMBL31335647 0.85 TRAP1 (0.35) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL31335555 0.84 SPR (0.39) TRAP1SPRHSP90AB1HSP90AA1HSP90B1
SCHEMBL31335788 0.84 TRAP1 (0.48) TRAP1HSP90AB1HSP90AA1HSP90B1
SCHEMBL31335899 0.82 BTK (0.33) TRAP1HSP90B1BTK

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