SCHEMBL14965797

SCHEMBL14965797

O=c1c2cc([N+](=O)[O-])ccc2cnn1CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
BRD4 O60885 1/20 0.42
GLS O94925 1/20 0.42
NPBWR1 P48145 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
RIPK1 Q13546 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
HSP90AA1 P07900 1/20 0.37
G6PD P11413 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL14966246 0.94 GLS (0.44) BRD4GLSPTGS2G6PDTLR9
SCHEMBL5864145 0.84 ALDH1A1 (0.46) GLSPOLBRAB9AMEN1KMT2A
SCHEMBL5429188 0.82 GLS (0.60) CNR2BRD4GLSRIPK1POLB
SCHEMBL14966121 0.82 BRD4 (0.46) BRD4NPBWR1PTGS1PTGS2PDE1A
SCHEMBL14966507 0.80 SIRT2 (0.44) RIPK1POLBRAB9ASIRT2HSP90AA1
SCHEMBL3384221 0.78 GLS (0.50) BRD4GLS
SCHEMBL9874375 0.78 GLS (0.50) GLSPOLBRAB9AG6PDTLR9
SCHEMBL7805916 0.77 BRD4 (0.43) CNR2BRD4GLSRIPK1POLB
SCHEMBL14966310 0.76 SIRT2 (0.40) GLSPDE1CRIPK1POLBRAB9A
SCHEMBL14966684 0.76 GLS (0.45) GLSPTGS2POLBG6PDTLR9

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-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed