SCHEMBL31335549

SCHEMBL31335549

CN(C)C/C=C/C(=O)Nc1cccc2c1CN(C(=O)c1cc(Br)c(O)cc1O)C2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.52
TRAP1 Q12931 7/20 0.43
HSP90AB1 P08238 8/20 0.41
HSP90B1 P14625 3/20 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
SCHEMBL31335842 0.90 TRAP1 (0.44) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335749 0.89 TRAP1 (0.44) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335762 0.89 HSP90AA1 (0.55) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335631 0.89 HSP90AA1 (0.45) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335571 0.88 HSP90AB1 (0.51) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335518 0.88 HSP90AA1 (0.40) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335796 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL31335531 0.88 HSP90AA1 (0.39) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335609 0.88 TRAP1 (0.46) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL31335526 0.86 TRAP1 (0.46) HSP90AA1TRAP1HSP90AB1HSP90B1

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