SCHEMBL23997331

SCHEMBL23997331

CSNCc1ccc(Cn2c(=O)n(C(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H2 P55055 5/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL23997330 0.84 KMT2A (0.53) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL30336785 0.84 KMT2A (0.53) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL23997395 0.83 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL30336707 0.83 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL28492451 0.82 MEN1 (0.56) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL31362216 0.80 MEN1 (0.56) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL28357637 0.78 MEN1 (0.51) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL25234619 0.78 MEN1 (0.54) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL25238726 0.77 MEN1 (0.56) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL25229540 0.77 MEN1 (0.52) MEN1KMT2AGAAL3MBTL1LMNA

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-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed