SCHEMBL7479201

SCHEMBL7479201

Cc1ccc(-c2nc(/C=[N+](\[O-])C(C)(C)C)c[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
NPBWR1 P48145 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL7472583 0.87 TNKS (0.32) MEN1NPC1ALDH1A1MAPTNFKB1
SCHEMBL27552770 0.87 ALPL (0.36) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL7471032 0.87 ALPL (0.36) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL7465381 0.87 MEN1 (0.33) NISCHNPBWR1MEN1NPC1ALDH1A1
SCHEMBL27480827 0.86 PKN1 (0.32) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL7474017 0.86 PKN1 (0.32) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL7473052 0.85 KDM4E (0.40) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL7473020 0.85 ALDH1A1 (0.36) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7478575 0.85 MAPT (0.40) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL7462399 0.85 ALOX5 (0.32) NISCH

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-0967207-B1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-09-11 EP disclosed
US-6034250-A ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 2000-03-07 US disclosed
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP disclosed