SCHEMBL7473052

SCHEMBL7473052

COc1ccc(-c2nc(/C=[N+](\[O-])C(C)(C)C)c[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MPI P34949 1/20 0.38
GFER P55789 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT1 P42224 1/20 0.38
HTT P42858 1/20 0.38
NPBWR1 P48145 1/20 0.38
NFKB2 Q00653 1/20 0.38

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) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7471032 0.84 ALPL (0.36) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL7472583 0.84 TNKS (0.32) KDM4EALDH1A1GAATDP1NPC1
SCHEMBL7472309 0.84 KDM4E (0.44) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL7465381 0.83 MEN1 (0.33) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL7474017 0.82 PKN1 (0.32) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL7462399 0.82 ALOX5 (0.32)
SCHEMBL7478575 0.82 MAPT (0.40) ALDH1A1GFERNPC1RAB9ASMN1; SMN2
SCHEMBL7473020 0.82 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7475233 0.82 GFER (0.38) KDM4EGFERNPC1RAB9ANPBWR1

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