SCHEMBL24754376

SCHEMBL24754376

CN(C)C(=O)c1ccc(Cn2ccoc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
DRD2 P14416 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TBXA2R P21731 1/20 0.37
ACACB O00763 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 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
SCHEMBL24754375 0.77 ALDH1A1 (0.44) BRD4ALDH1A1SMN1; SMN2HPGDHDAC1
SCHEMBL23516966 0.77 ALDH1A1 (0.50) BRD4ALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL23517936 0.74 EP300 (0.45) ALDH1A1SMN1; SMN2HPGDHDAC1HDAC6
SCHEMBL24754227 0.74 HDAC1 (0.44) ALDH1A1SMN1; SMN2HPGDHDAC1HDAC6
SCHEMBL24754377 0.73 ALDH1A1 (0.40) BRD4ALDH1A1SMN1; SMN2HPGDHDAC1
SCHEMBL24754230 0.73 TBXAS1 (0.43) BRD4ALDH1A1SMN1; SMN2HPGDHDAC1
SCHEMBL24754492 0.72 HDAC1 (0.56) SMN1; SMN2HDAC1HDAC6DRD2CYP2D6
SCHEMBL24754261 0.72 BRD4 (0.50) BRD4SMN1; SMN2HDAC1HDAC6EGLN1
SCHEMBL9731061 0.72 F2 (0.47) ALDH1A1SMN1; SMN2HPGDCYP2D6TP53
SCHEMBL24754395 0.71 BRD4 (0.42) BRD4ALDH1A1SMN1; SMN2HPGDHDAC1

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-2022263829-A1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF α1-ANTITRYPSIN DEFICIENCY Z Factor Limited (GB) 2022-12-22 WO disclosed