SCHEMBL8866005

SCHEMBL8866005

CC(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.64
MAPT P10636 3/20 0.59
NFE2L2 Q16236 2/20 0.59
MAOB P27338 1/20 0.59
FBP1 P09467 2/20 0.57
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 2/20 0.54
NPC1 O15118 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
VCP P55072 1/20 0.50
SNCA P37840 1/20 0.50
CYP19A1 P11511 1/20 0.50
CES2 O00748 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
SCHEMBL8865995 1.00 GLO1 (0.64) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL28236366 0.84 NFE2L2 (0.63) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL11671464 0.83 CYP1B1 (0.56) MAPTMAOBFBP1ALDH1A1MEN1
SCHEMBL11671467 0.83 CYP1B1 (0.56) MAPTMAOBFBP1ALDH1A1MEN1
SCHEMBL6771050 0.82 GLO1 (0.73) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL7828363 0.81 MAPT (0.62) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL11216772 0.81 MAPT (0.62) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL7828360 0.81 MAPT (0.62) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL2920007 0.80 GLO1 (0.70) GLO1MAPTNFE2L2MAOBFBP1
SCHEMBL2920009 0.80 GLO1 (0.70) GLO1MAPTNFE2L2MAOBFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 US disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US disclosed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
EP-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP disclosed