SCHEMBL7462399

SCHEMBL7462399

CSc1ccc(-c2nc(/C=[N+](\[O-])C(C)(C)C)c[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.32
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
MAPK14 Q16539 2/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MATK P42679 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
GCGR P47871 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 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
SCHEMBL7479201 0.85 NISCH (0.35) NISCH
SCHEMBL7472583 0.84 TNKS (0.32) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL27552770 0.84 ALPL (0.36) GCGR
SCHEMBL7471032 0.84 ALPL (0.36) GCGR
SCHEMBL7465381 0.83 MEN1 (0.33) PRKD3MAP4K4PRKACAGSK3AGSK3B
SCHEMBL7474017 0.82 PKN1 (0.32) GCGR
SCHEMBL7473020 0.82 ALDH1A1 (0.36)
SCHEMBL7478575 0.82 MAPT (0.40)
SCHEMBL7473052 0.82 KDM4E (0.40)
SCHEMBL7475233 0.82 GFER (0.38)

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