SCHEMBL8516619

SCHEMBL8516619

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc([N+](=O)[O-])ccc23)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.43
CAMK2D Q13557 7/20 0.38
GSK3B P49841 1/20 0.38
QPCT Q16769 1/20 0.38
TDP1 Q9NUW8 5/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CFTR P13569 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
RAB9A P51151 1/20 0.35
CASP6 P55212 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8516793 0.88 CAMK2D (0.48) CAMK2DGSK3B
SCHEMBL8367882 0.87 RAB9A (0.44) ASH1LCAMK2DGSK3BQPCTTDP1
SCHEMBL8516977 0.86 CAMK2D (0.46) CAMK2D
SCHEMBL7663691 0.85 ASH1L (0.38) ASH1LCAMK2DGSK3BQPCTTDP1
SCHEMBL8515918 0.85 IGF1R (0.39) CAMK2DMAPT
SCHEMBL8516997 0.84 ASH1L (0.37) ASH1LCAMK2DGSK3BQPCTTDP1
SCHEMBL8516993 0.84 CAMK2D (0.37) CAMK2DGSK3BTDP1MAPT
SCHEMBL8516344 0.83 CAMK2D (0.40) CAMK2DGSK3BQPCTPDE4BPDE4D
SCHEMBL8515897 0.83 CAMK2D (0.44) CAMK2DGSK3BQPCT
SCHEMBL8366761 0.82 ASH1L (0.37) ASH1LTDP1MAPTMEN1KMT2A

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