SCHEMBL24754239

SCHEMBL24754239

CN(C)C(=O)c1ccc(Cn2ncccc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
IDO1 P14902 2/20 0.40
DRD2 P14416 2/20 0.40
TBXA2R P21731 1/20 0.40
MEN1 O00255 1/20 0.40
TDO2 P48775 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL24754231 0.81 IDO1 (0.40) KMT2AIDO1DRD2TBXA2RMEN1
SCHEMBL24754228 0.81 KMT2A (0.39) KMT2AIDO1DRD2TBXA2RTDO2
SCHEMBL24754234 0.80 CYP1A2 (0.40) KMT2AIDO1DRD2TBXA2RTDO2
SCHEMBL4182991 0.75 CYP19A1 (0.48) KMT2AIDO1MEN1ALDH1A1HPGD
SCHEMBL24754590 0.75 IDO1 (0.40) KMT2AIDO1DRD2TBXA2RTDO2
SCHEMBL23516966 0.74 ALDH1A1 (0.50) DRD2TBXA2RALDH1A1SMN1; SMN2HDAC1
SCHEMBL27551879 0.74 HTT (0.54) KMT2AIDO1MEN1TDO2ALDH1A1
SCHEMBL27477655 0.74 KDM4E (0.53) IDO1ALDH1A1HPGD
SCHEMBL27501601 0.74 NPBWR1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL24754238 0.73 TDP1 (0.59) KMT2ADRD2TBXA2RMEN1ALDH1A1

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