SCHEMBL31336035

SCHEMBL31336035

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 5/20 0.36
HSP90B1 P14625 2/20 0.36
SLC6A9 P48067 3/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TOP1 P11387 2/20 0.34
ACHE P22303 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
NOTUM Q6P988 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL31335926 0.89 TRAP1 (0.37) TRAP1HSP90B1SLC6A9POLBTDP1
SCHEMBL31335727 0.86 POLB (0.35) POLB
SCHEMBL31335875 0.85 TRAP1 (0.34) TRAP1HSP90B1SLC6A9POLBTDP1
SCHEMBL25601416 0.78 TRAP1 (0.38) TRAP1HSP90B1SLC6A9TAS1R3TAS1R1
SCHEMBL31335899 0.77 BTK (0.33) TRAP1HSP90B1SLC6A9TDP1L3MBTL1
SCHEMBL25601427 0.77 TRAP1 (0.42) TRAP1HSP90B1
SCHEMBL31282296 0.77 TRAP1 (0.42) TRAP1HSP90B1
SCHEMBL31281835 0.74 TRAP1 (0.45) TRAP1HSP90B1
SCHEMBL31335642 0.74 SPR (0.44) TRAP1HSP90B1TAS1R3TAS1R1TAS1R2
SCHEMBL31282001 0.73 TRAP1 (0.36) TRAP1HSP90B1

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