SCHEMBL24754231

SCHEMBL24754231

CN(C)C(=O)c1ccc(Cn2nnccc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 2/20 0.38
TBXA2R P21731 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.37
TBXAS1 P24557 1/20 0.36
BRD4 O60885 1/20 0.35
POLB P06746 1/20 0.35
FAAH O00519 1/20 0.34
GAA P10253 1/20 0.34
ACACB O00763 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL24754239 0.81 KMT2A (0.42) IDO1TDO2ALDH1A1SMN1; SMN2HPGD
SCHEMBL24754228 0.75 KMT2A (0.39) IDO1TDO2ALDH1A1SMN1; SMN2HPGD
SCHEMBL22091411 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDDRD2KCNH2
SCHEMBL22091425 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDDRD2KCNH2
SCHEMBL24754234 0.74 CYP1A2 (0.40) IDO1TDO2ALDH1A1SMN1; SMN2HPGD
SCHEMBL24754590 0.72 IDO1 (0.40) IDO1TDO2ALDH1A1SMN1; SMN2HPGD
SCHEMBL24754233 0.72 BRD4 (0.42) IDO1TDO2ALDH1A1SMN1; SMN2HPGD
SCHEMBL24754230 0.71 TBXAS1 (0.43) ALDH1A1SMN1; SMN2HPGDKMT2ATBXAS1
SCHEMBL24754241 0.70 LMNA (0.67) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL24754227 0.69 HDAC1 (0.44) ALDH1A1SMN1; SMN2HPGDDRD2TBXA2R

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