SCHEMBL24993496

SCHEMBL24993496

CNC(C)Nc1ccc(Cl)c2c1C(=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
STS P08842 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BUB1 O43683 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL24993472 0.91 MEN1 (0.34) HDAC1HDAC6STSNPC1ALDH1A1
SCHEMBL23707238 0.88 MEN1 (0.33) HDAC1HDAC6STSNPC1ALDH1A1
SCHEMBL31303368 0.77 BUB1 (0.36) HDAC1HDAC6STSALDH1A1MAPT
SCHEMBL29736458 0.77 HDAC1 (0.36) HDAC1HDAC6STSMAPK1BUB1
SCHEMBL23090018 0.77 BUB1 (0.36) HDAC1HDAC6STSALDH1A1MAPT
SCHEMBL23089773 0.77 HDAC1 (0.36) HDAC1HDAC6STSMAPK1BUB1
SCHEMBL23107418 0.74 POLB (0.35) HDAC1HDAC6NPC1ALDH1A1MAPT
SCHEMBL25147504 0.73 NAMPT (0.42) NPC1MAPTHTTRAB9AMEN1
SCHEMBL23089544 0.73 LMNA (0.38) HDAC1HDAC6STSALDH1A1MAPT
SCHEMBL23090067 0.72 UCHL1 (0.36) HDAC1HDAC6STSBUB1MEN1

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-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed