SCHEMBL31335582

SCHEMBL31335582

C=CC(=O)N(C)c1cccc2c1CN(C(=O)c1cc(Cl)c(OC)cc1O)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 13/20 0.48
HSP90B1 P14625 7/20 0.48
HSP90AA1 P07900 6/20 0.39
HSP90AB1 P08238 3/20 0.39
FGFR4 P22455 1/20 0.38
KRAS P01116 1/20 0.38

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
SCHEMBL31335602 0.88 HSP90AA1 (0.47) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335833 0.88 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335636 0.88 HSP90AB1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335505 0.87 TRAP1 (0.44) TRAP1HSP90B1HSP90AA1HSP90AB1KRAS
SCHEMBL31335751 0.84 TRAP1 (0.40) TRAP1HSP90B1FGFR4KRAS
SCHEMBL31335695 0.83 TRAP1 (0.40) TRAP1HSP90B1FGFR4KRAS
SCHEMBL31335788 0.83 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335943 0.80 HSP90AA1 (0.44) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335694 0.78 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL25216773 0.77 TRAP1 (0.38) TRAP1HSP90B1HSP90AA1HSP90AB1KRAS

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