SCHEMBL8367882

SCHEMBL8367882

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc([N+](=O)[O-])ccc23)nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 3/20 0.44
AHR P35869 1/20 0.44
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ASH1L Q9NR48 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL7663691 0.89 ASH1L (0.38) RAB9ALMNAMEN1KMT2ATDP1
SCHEMBL8516843 0.88 CAMK2D (0.49) CAMK2DGSK3B
SCHEMBL8366761 0.87 ASH1L (0.37) RAB9ALMNAMEN1KMT2ATDP1
SCHEMBL8516619 0.87 ASH1L (0.43) RAB9ALMNAMEN1KMT2ATDP1
SCHEMBL8366774 0.87 ASH1L (0.34) RAB9ALMNAMEN1KMT2ATDP1
SCHEMBL8516327 0.86 CAMK2D (0.46) CAMK2DGSK3B
SCHEMBL8368545 0.85 CAMK2D (0.38) CAMK2D
SCHEMBL7659523 0.84 ASH1L (0.35) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL7654550 0.84 KMT2A (0.36) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL8365260 0.84 CAMK2D (0.41) RAB9AMEN1KMT2AMAPTCAMK2D

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