SCHEMBL7616591

SCHEMBL7616591

CC(C)N(O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
PTGES O14684 1/20 0.58
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MYOC Q99972 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.50
ATM Q13315 1/20 0.50
TGM2 P21980 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7611231 0.84 GAA (0.64) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL7621088 0.82 GAA (1.00) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL3836117 0.80 GAA (0.78) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL7613464 0.78 TGM2 (0.53) MAPTPOLBTGM2
SCHEMBL4050796 0.78 GAA (0.73) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL6918119 0.77 MAPT (0.70) GAAKMT2AMEN1ALDH1A1NPC1
SCHEMBL9067959 0.77 MEN1 (0.56) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL7616604 0.77 MEN1 (0.49) GAAKMT2AMEN1ALDH1A1NPC1
SCHEMBL7608931 0.76 MTOR (0.57) GAAKMT2AMEN1ALDH1A1NPC1
SCHEMBL27491602 0.76 ALDH1A1 (0.70) GAAPTGESKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed