SCHEMBL25362018

SCHEMBL25362018

CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARP1 P09874 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
USP30 Q70CQ3 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL30496077 1.00 SIRT2 (0.51) SIRT2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL26025076 0.94 PTPN2 (0.54) SIRT2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30496051 0.94 PTPN2 (0.54) SIRT2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL25362245 0.94 PTPN2 (0.54) SIRT2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL26911374 0.89 SIRT2 (0.48) SIRT2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30496080 0.88 PTPN2 (0.60) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7714103 0.88 PTPN2 (0.60) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL19378084 0.87 HDAC1 (0.62) KMT2AMEN1ALDH1A1ABL1RIN1
SCHEMBL762580 0.87 HDAC1 (0.62) KMT2AMEN1ALDH1A1ABL1RIN1
SCHEMBL17533942 0.87 HDAC1 (0.62) KMT2AMEN1ALDH1A1ABL1RIN1

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-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed