SCHEMBL31469836

SCHEMBL31469836

Cn1cc(NC(=O)CCNC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(C(=O)NCCC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
TOP1 P11387 2/20 0.42
HRAS P01112 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
ERBB2 P04626 3/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK14 Q16539 1/20 0.37
EP300 Q09472 2/20 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
SCHEMBL27197324 0.95 HDAC1 (0.55) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL13845563 0.92 HDAC1 (0.49) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL24510762 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL31614482 0.90 TOP1 (0.51) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL30125564 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL23744959 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL23745098 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL23745126 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL13845730 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL31469819 0.88 HDAC1 (0.47) HDAC1HDAC2HDAC8TOP1HRAS

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
WO-2025076181-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed