SCHEMBL24993472

SCHEMBL24993472

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NR1H2 P55055 1/20 0.33
BUB1 O43683 2/20 0.32
STS P08842 2/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 1/20 0.31

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
SCHEMBL23707238 0.94 MEN1 (0.33) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL24993496 0.91 HDAC1 (0.34) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL23107418 0.82 POLB (0.35) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL31303368 0.81 BUB1 (0.36) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL29736458 0.81 HDAC1 (0.36) MEN1KMT2AMAPK1HDAC1HDAC6
SCHEMBL23090018 0.81 BUB1 (0.36) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL23089773 0.81 HDAC1 (0.36) MEN1KMT2AMAPK1HDAC1HDAC6
SCHEMBL25147504 0.77 NAMPT (0.42) MEN1KMT2ANPC1MAPTHTT
SCHEMBL23089544 0.77 LMNA (0.38) ALDH1A1MAPTMAPK1HTTHDAC1
SCHEMBL23090067 0.76 UCHL1 (0.36) MEN1KMT2AHDAC1HDAC6BUB1

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