SCHEMBL6681971

SCHEMBL6681971

CC(C)(C)OC(=O)NC(C)(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALOX5 P09917 1/20 0.56
PTPRC P08575 1/20 0.50
NR3C2 P08235 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HTT P42858 3/20 0.44
POLB P06746 2/20 0.43
DDX3X O00571 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL244443 0.86 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL2237474 0.85 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245177 0.85 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL530087 0.83 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245779 0.83 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL20117837 0.83 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL14876703 0.83 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL17340618 0.81 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245178 0.80 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL6680006 0.79 PTPRC (0.54) MAPTSMN1; SMN2NPC1RAB9AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed