SCHEMBL14880486

SCHEMBL14880486

COc1ccc([CH]c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.63
PTGS1 P23219 1/20 0.63
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
APP P05067 1/20 0.58
NFE2L2 Q16236 1/20 0.58
TLR9 Q9NR96 1/20 0.57
FBP1 P09467 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
ATM Q13315 1/20 0.54
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.51

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
SCHEMBL1005735 0.89 PTGS2 (0.78) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL1005734 0.89 PTGS2 (0.78) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL492221 0.88 APP (0.70) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL20328414 0.88 APP (0.70) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL20328415 0.88 APP (0.70) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL8039805 0.88 RAB9A (0.59) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL31096483 0.86 APP (0.68) PTGS2PTGS1MAOAMAOBAPP
Hydrochloric Acid SCHEMBL15269629 0.86 APP (0.68) PTGS2PTGS1MAOAMAOBAPP
SCHEMBL28853641 0.86 APP (0.68) PTGS2PTGS1MAOAMAOBAPP
Ethane SCHEMBL10589507 0.86 APP (0.68) PTGS2PTGS1MAOAMAOBAPP

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-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed