SCHEMBL25908182

SCHEMBL25908182

COC(O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP17A1 P05093 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KAT6A Q92794 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NAMPT P43490 1/20 0.41
SYK P43405 1/20 0.41
BRD4 O60885 2/20 0.40

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
SCHEMBL19426702 0.87 IDO1 (0.49) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL21377414 0.86 MEN1 (0.63) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL13734965 0.86 MEN1 (0.63) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL28032815 0.86 MEN1 (0.63) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL2349796 0.85 IDO1 (0.46) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL12743181 0.84 FADS1 (0.51) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL28360251 0.83 RXFP1 (0.48) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL29910146 0.83 RXFP1 (0.48) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL25810625 0.82 PTGS1 (0.50) IDO1MEN1KMT2AHDAC3HDAC1
SCHEMBL29029431 0.82 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed