SCHEMBL6181379

SCHEMBL6181379

O=C1[CH]CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.50
S100A4 P26447 2/20 0.50
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
TLR9 Q9NR96 1/20 0.45
ADRA2A P08913 1/20 0.45
PNMT P11086 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL8765610 0.85 PTPRC (0.46) PTPRCS100A4MAPTGAATDP2
SCHEMBL16559365 0.80 MAPT (0.61) PTPRCS100A4MAPTGAATDP2
SCHEMBL30954730 0.79 BAZ1A (0.58) PTPRCS100A4MAPTGAATDP2
SCHEMBL7470998 0.79 PNMT (0.47) PTPRCS100A4MAPTTDP2ALDH1A1
SCHEMBL568785 0.79 BAZ1A (0.58) PTPRCS100A4MAPTGAATDP2
SCHEMBL28187783 0.77 MAPT (0.48) PTPRCS100A4MAPTGAATDP2
SCHEMBL398342 0.76 PTPRC (0.50) PTPRCS100A4MAPTGAATDP2
SCHEMBL2246184 0.76 PTPRC (0.50) PTPRCS100A4MAPTGAATDP2
SCHEMBL7517465 0.76 MAOA (0.44) PTPRCS100A4MAPTGAATDP2
SCHEMBL7466989 0.75 PNMT (0.47) PTPRCS100A4MAPTTDP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed