SCHEMBL8516993

SCHEMBL8516993

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc4c(cc23)OCO4)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 9/20 0.37
TP53 P04637 1/20 0.35
EDNRB P24530 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33
KDR P35968 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8516793 0.88 CAMK2D (0.48) CAMK2DCNR2KDRGSK3B
SCHEMBL8516344 0.88 CAMK2D (0.40) CAMK2DCNR2KDRGSK3B
SCHEMBL8515897 0.88 CAMK2D (0.44) CAMK2DKDRGSK3B
SCHEMBL8516409 0.87 TP53 (0.43) TP53EDNRBMAPTRXFP1
SCHEMBL8516957 0.87 CAMK2D (0.37) CAMK2DTP53EDNRBKDM4EALDH1A1
SCHEMBL8516977 0.86 CAMK2D (0.46) CAMK2DCNR2
SCHEMBL7659720 0.85 CAMK2D (0.36) CAMK2DTP53KDM4EALDH1A1CYP1A2
SCHEMBL8516735 0.85 IGF1R (0.40) CAMK2DKDR
SCHEMBL8365275 0.84 CAMK2D (0.37) CAMK2DCNR2KDRGSK3B
SCHEMBL8516619 0.84 ASH1L (0.43) CAMK2DTDP1GSK3BMAPT

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