SCHEMBL28458467

SCHEMBL28458467

O=c1c(-c2nnn[nH]2)cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.56
PDE4B Q07343 9/20 0.56
PDE4C Q08493 9/20 0.56
PDE4D Q08499 9/20 0.56
PDE3B Q13370 7/20 0.56
PDE3A Q14432 7/20 0.56
LMNA P02545 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CNR2 P34972 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL29696584 1.00 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29696619 0.92 ESR1 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28458542 0.92 ESR1 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28454854 0.91 TP53 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29696606 0.91 CNR2 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29696587 0.91 TP53 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28462417 0.91 CNR2 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8939296 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29696599 0.88 HTR6 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28466760 0.88 HTR6 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533729-B Tetrazole-substituted quinolinone derivative and preparation method and application thereof 盐城工学院 2022-07-26 CN disclosed
CN-111533729-A Tetrazole-substituted quinolinone derivative and preparation method and application thereof 盐城工学院 2020-08-14 CN disclosed