SCHEMBL31336047

SCHEMBL31336047

Cc1cc(C(=O)N2Cc3cccc(NC4Cc5ccccc5C4)c3C2)c(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 8/20 0.52
HSP90AA1 P07900 13/20 0.50
HSP90AB1 P08238 4/20 0.50
HSP90B1 P14625 4/20 0.50

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
SCHEMBL31335894 0.80 HSP90AA1 (0.51) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335551 0.79 TRAP1 (0.49) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335880 0.78 TRAP1 (0.57) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL383645 0.75 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL31335848 0.74 HSP90AA1 (0.54) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335842 0.74 TRAP1 (0.44) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335869 0.74 TRAP1 (0.44) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335595 0.74 TRAP1 (0.44) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335953 0.73 HSP90AA1 (0.67) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335788 0.70 TRAP1 (0.48) TRAP1HSP90AA1HSP90AB1HSP90B1

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