SCHEMBL24754388

SCHEMBL24754388

Cc1c(C)n(Cc2ccc(C(=O)N(C)C)cc2)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
CECR2 Q9BXF3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
BRD4 O60885 2/20 0.37
HSD11B1 P28845 1/20 0.36
DRD2 P14416 2/20 0.35
TBXA2R P21731 1/20 0.35
AR P10275 1/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
PDK1 Q15118 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL24754229 0.77 HDAC1 (0.46) BRD4DRD2TBXA2RGAAKMT2A
SCHEMBL24754236 0.75 HDAC1 (0.46) ALDH1A1BRD4DRD2TBXA2RGAA
SCHEMBL24754261 0.70 BRD4 (0.50) MAPK14SMN1; SMN2BRD4GAAKMT2A
SCHEMBL505778 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL24754227 0.69 HDAC1 (0.44) MAPK14ALDH1A1SMN1; SMN2HPGDEPHX2
SCHEMBL24754376 0.69 BRD4 (0.41) MAPK14ALDH1A1SMN1; SMN2HPGDEPHX2
SCHEMBL24754375 0.69 ALDH1A1 (0.44) CECR2ALDH1A1SMN1; SMN2HPGDEPHX2
SCHEMBL3274471 0.68 CA1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL24754399 0.68 HDAC1 (0.46) ALDH1A1SMN1; SMN2HPGDDRD2KMT2A
SCHEMBL24755097 0.68 ALDH1A1 (0.39) MAPK14CECR2ALDH1A1SMN1; SMN2HPGD

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