SCHEMBL8368564

SCHEMBL8368564

CCc1cccc2c(-c3nc4cc(C)ccc4n(OC(C)=O)c3=O)cn(CCCN)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.36
TP53 P04637 3/20 0.35
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE10A Q9Y233 2/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ICMT O60725 2/20 0.31
CHRM1 P11229 1/20 0.31
GSK3B P49841 1/20 0.31
MAPT P10636 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8368712 0.91 CAMK2D (0.33) CAMK2DTP53PDE4BPDE4DALDH1A1
SCHEMBL7659483 0.89 CAMK2D (0.39) CAMK2DPDE4BPDE4DALDH1A1GSK3B
SCHEMBL8366859 0.89 CAMK2D (0.33) CAMK2DPDE4BPDE4DALDH1A1GSK3B
SCHEMBL7664679 0.88 CAMK2D (0.32) CAMK2D
SCHEMBL7656323 0.88 CAMK2D (0.36) CAMK2DALDH1A1GSK3BPCSK9USP2
SCHEMBL8365231 0.84 CNR2 (0.37) CAMK2DMAPTPCSK9
SCHEMBL8516363 0.84 MAPT (0.36) PDE4BPDE4DALDH1A1KDM4EMAPT
SCHEMBL8516682 0.83 GSK3B (0.38) CAMK2DALDH1A1GSK3BUSP2CYP1A2
Acetic Acid SCHEMBL8368566 0.79 CAMK2D (0.37) CAMK2DTP53ALDH1A1KDM4EHPGD
SCHEMBL7656438 0.77 CAMK2D (0.42) CAMK2DGSK3B

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed