SCHEMBL3638008

SCHEMBL3638008

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.53
NOD1 Q9Y239 2/20 0.53
MAPT P10636 2/20 0.51
ELANE P08246 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F2 P00734 3/20 0.44
PLAU P00749 3/20 0.44
CTRB1 P17538 3/20 0.44
AR P10275 3/20 0.44
CCR2 P41597 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MITF O75030 1/20 0.43
NPC1 O15118 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3640347 0.90 NOD2 (0.55) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL4421628 0.88 NOD2 (0.60) NOD2NOD1MAPTELANERAB9A
SCHEMBL3023818 0.85 NOD2 (0.48) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL4203356 0.85 MAPT (0.59) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL31383537 0.85 MAPT (0.59) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL4196083 0.84 NOD2 (0.54) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL3638010 0.84 CCR2 (0.50) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL15908736 0.84 MAPT (0.55) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL6019391 0.82 NOD2 (0.55) NOD2NOD1MAPTELANESMN1; SMN2
SCHEMBL23045577 0.82 NOD2 (0.52) 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