SCHEMBL31335515

SCHEMBL31335515

C=CC(=O)N(C)c1cc(OCCN(C)C)cc2c1CN(C(=O)c1cc(C)c(O)cc1O)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.46
HSP90B1 P14625 9/20 0.46
HSP90AA1 P07900 11/20 0.41
HSP90AB1 P08238 4/20 0.41
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL31335788 0.79 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL380889 0.77 HSP90AA1 (0.59) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL12660086 0.71 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL3766601 0.70 TRAP1 (0.81) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL31335603 0.70 TRAP1 (0.45) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335917 0.69 HSP90AA1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335509 0.68 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335667 0.68 TRAP1 (0.41) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL31335943 0.67 HSP90AA1 (0.44) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL12572654 0.67 TRAP1 (0.44) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL

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