SCHEMBL29035965

SCHEMBL29035965

O=[C]Cn1ccc(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.43
PGR P06401 9/20 0.43
NR3C2 P08235 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
P2RX4 Q99571 1/20 0.36
LMNA P02545 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 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
SCHEMBL29650348 0.78 NR3C1 (0.50) NR3C1PGRNR3C2SMN1; SMN2MAPK1
SCHEMBL19585644 0.78 NR3C1 (0.44) NR3C1PGRNR3C2SMN1; SMN2MAPK1
SCHEMBL2851614 0.78 NR3C1 (0.50) NR3C1PGRNR3C2SMN1; SMN2MAPK1
SCHEMBL31174785 0.76 NR3C1 (0.46) NR3C1PGRNR3C2SMN1; SMN2MAPK1
SCHEMBL17111036 0.76 HTR6 (0.55) SMN1; SMN2MAPK1P2RX4LMNAPDE4A
SCHEMBL29696630 0.76 HTR6 (0.55) SMN1; SMN2MAPK1P2RX4LMNAPDE4A
SCHEMBL4886606 0.75 MEN1 (0.49) NR3C1PGRNR3C2PDE4BPDE4D
SCHEMBL7207556 0.75 NR3C1 (0.42) NR3C1PGRNR3C2SMN1; SMN2MAPK1
SCHEMBL8653902 0.75 PDE5A (0.47) NR3C1PGRNR3C2ALDH1A1KDM4E
SCHEMBL11635971 0.74 KMT2A (0.62) NR3C1PGRNR3C2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 CN claimed
CN-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 CN disclosed
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 CN disclosed