SCHEMBL24754228

SCHEMBL24754228

CN(C)C(=O)c1ccc(Cn2nccnc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 2/20 0.38
TBXA2R P21731 1/20 0.38
BRD4 O60885 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
PDK1 Q15118 1/20 0.37

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) KMT2AALDH1A1HPGDSMN1; SMN2DRD2
SCHEMBL24754590 0.75 IDO1 (0.40) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24754231 0.75 IDO1 (0.40) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24754234 0.74 CYP1A2 (0.40) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24754238 0.70 TDP1 (0.59) KMT2AALDH1A1HPGDSMN1; SMN2DRD2
SCHEMBL24754395 0.69 BRD4 (0.42) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22091411 0.69 ALDH1A1 (0.45) TBXAS1ALDH1A1HPGDSMN1; SMN2DRD2
SCHEMBL22091425 0.69 ALDH1A1 (0.45) TBXAS1ALDH1A1HPGDSMN1; SMN2DRD2
SCHEMBL24754227 0.69 HDAC1 (0.44) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24754230 0.69 TBXAS1 (0.43) KMT2ATBXAS1ALDH1A1HPGDSMN1; SMN2

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