SCHEMBL31335642

SCHEMBL31335642

CNc1cccc2c1CN(C(=O)c1c(O)cc(O)c(Cl)c1C)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.44
TRAP1 Q12931 8/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HSP90AA1 P07900 10/20 0.39
HSP90B1 P14625 4/20 0.39
HSP90AB1 P08238 3/20 0.39

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
SCHEMBL31335771 0.88 SPR (0.42) SPRTRAP1TAS1R3TAS1R1TAS1R2
SCHEMBL31335933 0.88 SPR (0.44) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL4150793 0.83 SPR (0.62) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL31335718 0.83 SPR (0.54) SPRTRAP1TAS1R3TAS1R1TAS1R2
SCHEMBL25601427 0.83 TRAP1 (0.42) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL31282296 0.83 TRAP1 (0.42) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL31335970 0.82 TRAP1 (0.46) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL31281835 0.80 TRAP1 (0.45) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL31282001 0.77 TRAP1 (0.36) SPRTRAP1HSP90AA1HSP90B1HSP90AB1
SCHEMBL25599247 0.77 HSP90AA1 (0.40) SPRTRAP1HSP90AA1HSP90B1HSP90AB1

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