SCHEMBL6509422

SCHEMBL6509422

CN(C)Cc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.39
CNR2 P34972 3/20 0.38
XDH P47989 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIM1 P11309 1/20 0.35
ARF6 P62330 1/20 0.35
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HAVCR2 Q8TDQ0 1/20 0.34

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
SCHEMBL4837574 0.83 CNR1 (0.50) CNR1CNR2XDHHAVCR2
SCHEMBL4836399 0.75 CNR1 (0.38) CNR1CNR2XDHKDM4ENPC1
SCHEMBL6506926 0.74 KDM4E (0.37) CNR1CNR2KDM4ENPC1POLB
SCHEMBL8261401 0.72 CNR1 (0.45) CNR1CNR2KDM4ENPC1POLB
SCHEMBL4832926 0.72 CNR1 (0.45) CNR1CNR2KDM4ENPC1POLB
SCHEMBL25358857 0.71 MAPT (0.48) CNR1CNR2KDM4ENPC1POLB
SCHEMBL14577345 0.71 MEN1 (0.62) CNR1CNR2KDM4ENPC1POLB
SCHEMBL5375193 0.71 TP53 (0.43) CNR1CNR2KDM4ENPC1POLB
SCHEMBL5375242 0.71 MAPT (0.64) CNR1CNR2KDM4ENPC1POLB
SCHEMBL6509849 0.69 CNR1 (0.51) CNR1HTTADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO disclosed