SCHEMBL3640347

SCHEMBL3640347

CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2n1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.55
NOD1 Q9Y239 2/20 0.55
MAPT P10636 3/20 0.48
ELANE P08246 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 3/20 0.44
CCR2 P41597 1/20 0.44
MITF O75030 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
CTRB1 P17538 1/20 0.42

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
SCHEMBL3638008 0.90 NOD2 (0.53) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL13560447 0.87 NOD2 (0.43) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL3033204 0.85 NOD2 (0.51) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL7878190 0.85 NOD2 (0.57) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL3640350 0.84 CCR2 (0.50) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL13560440 0.79 CCR2 (0.39) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL4421628 0.78 NOD2 (0.60) NOD2NOD1MAPTELANEALDH1A1
SCHEMBL4203356 0.78 MAPT (0.59) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL31383537 0.78 MAPT (0.59) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL4196083 0.77 NOD2 (0.54) NOD2NOD1MAPTELANESMN1; SMN2

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
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed