SCHEMBL30212752

SCHEMBL30212752

CC(=O)CC(=O)Nc1cccc(C(=O)N(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
PARP1 P09874 1/20 0.51
PARP10 Q53GL7 1/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A1 P22736 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL24028269 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL11545748 0.85 MAPT (0.55) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL2562988 0.83 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL8752439 0.82 MEN1 (0.66) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL11545396 0.81 PARP1 (0.74) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL28284716 0.81 MEN1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1NPC1
SCHEMBL11544934 0.80 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL24027984 0.80 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL29034583 0.80 L3MBTL1 (0.75) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL11545988 0.80 HPGD (0.57) KMT2AMEN1ALDH1A1KDM4ECYP1A2

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
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed