SCHEMBL31335771

SCHEMBL31335771

CCNc1cccc2c1CN(C(=O)c1c(O)cc(O)c(Cl)c1C)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.42
TRAP1 Q12931 8/20 0.40
HSP90AA1 P07900 10/20 0.39
HSP90AB1 P08238 4/20 0.39
HSP90B1 P14625 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 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
SCHEMBL31336056 0.89 SPR (0.41) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335642 0.88 SPR (0.44) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL4150793 0.81 SPR (0.62) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335933 0.77 SPR (0.44) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335566 0.76 SPR (0.38) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335926 0.76 TRAP1 (0.37) TRAP1HSP90AA1HSP90AB1HSP90B1TAS1R3
SCHEMBL31335618 0.74 SPR (0.39) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31281835 0.73 TRAP1 (0.45) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335718 0.72 SPR (0.54) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31282296 0.72 TRAP1 (0.42) SPRTRAP1HSP90AA1HSP90AB1HSP90B1

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