SCHEMBL31335875

SCHEMBL31335875

COCCNc1cccc2c1CN(C(=O)c1c(OC(C)=O)cc(OC(C)=O)c(C)c1C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.34
HSP90B1 P14625 2/20 0.34
PTGER4 P35408 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TOP1 P11387 2/20 0.32
PTPN1 P18031 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 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) TRAP1HSP90B1TDP1L3MBTL1POLB
SCHEMBL31336035 0.85 TRAP1 (0.36) TRAP1HSP90B1TDP1L3MBTL1POLB
SCHEMBL31335727 0.74 POLB (0.35) POLBKDM4E
SCHEMBL31335899 0.74 BTK (0.33) TRAP1HSP90B1TDP1L3MBTL1SLC6A9
SCHEMBL31013975 0.72 DDB1 (0.46) PTGER4RXFP1KDM4E
SCHEMBL25601416 0.67 TRAP1 (0.38) TRAP1HSP90B1MEN1KMT2ASLC6A9
SCHEMBL31013748 0.66 RXFP1 (0.37) PTGER4PRMT5WDR77ALDH1A1MCL1
SCHEMBL24914227 0.66 PTGDR2 (0.40) PRMT5WDR77L3MBTL1KDM4EKMT2A
SCHEMBL30155768 0.66 PTGDR2 (0.40) PRMT5WDR77L3MBTL1KDM4EKMT2A
SCHEMBL31013929 0.66 ESR2 (0.46) PRMT5WDR77HPGDTMEM97SIGMAR1

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