SCHEMBL31335970

SCHEMBL31335970

CNc1cccc2c1CN(C(=O)c1c(C)cc(O)cc1O)C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.46
SPR P35270 1/20 0.41
HSP90AA1 P07900 6/20 0.40
HSP90AB1 P08238 6/20 0.40
CYP3A4 P08684 2/20 0.39
ACHE P22303 2/20 0.39
HSP90B1 P14625 5/20 0.38
LMNA P02545 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL31335718 0.87 SPR (0.54) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31335952 0.86 TRAP1 (0.42) TRAP1SPRHSP90AA1HSP90AB1CYP3A4
SCHEMBL31335642 0.82 SPR (0.44) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL24913934 0.80 TRAP1 (0.41) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL30789151 0.80 TRAP1 (0.41) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31335814 0.80 TRAP1 (0.38) TRAP1
SCHEMBL31282296 0.80 TRAP1 (0.42) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL25601427 0.80 TRAP1 (0.42) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31335933 0.79 SPR (0.44) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31281835 0.78 TRAP1 (0.45) TRAP1SPRHSP90AA1HSP90AB1HSP90B1

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