SCHEMBL24802431

SCHEMBL24802431

Cc1ccc(=O)n(CC(=O)N(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLQ O75417 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
SCHEMBL14446918 0.82 LMNA (0.59) SMN1; SMN2KDM4EALDH1A1HTTHSD17B10
SCHEMBL24802523 0.82 NPSR1 (0.48) NPSR1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL14074043 0.74 HTT (0.50) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL23479904 0.74 HTT (0.47) NPSR1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL21960820 0.73 NPSR1 (0.49) NPSR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL24803365 0.72 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1USP2MAPK1
SCHEMBL22305679 0.72 GAA (0.50) NPSR1SMN1; SMN2KDM4EHTTHSD17B10
SCHEMBL10196841 0.72 GAA (0.40) NPSR1SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7926564 0.72 GAA (0.44) KDM4EHTTHSD17B10MEN1KMT2A
SCHEMBL11356386 0.71 PTGS2 (0.42) KDM4EALDH1A1HTTMEN1KMT2A

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-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed