SCHEMBL469819

SCHEMBL469819

CBc1ccc(N2CCCC2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
PARP1 P09874 2/20 0.45
FGFR3 P22607 1/20 0.43
PCSK9 Q8NBP7 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
AR P10275 1/20 0.37
IDH1 O75874 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PIP4K2A P48426 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL30470842 0.80 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL46340 0.80 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL23930181 0.79 CNR2 (0.49) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL16753459 0.78 CNR2 (0.51) CNR2PARP1HRH3ALDH1A1NPC1
SCHEMBL14910345 0.78 CNR2 (0.53) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL31202632 0.76 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL25669487 0.76 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL469807 0.76 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL38010 0.76 CNR2 (0.52) CNR2PARP1FGFR3PCSK9CCNC
SCHEMBL2645643 0.76 CNR2 (0.56) CNR2PARP1PCSK9CCNCCDK8

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-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed