SCHEMBL7478575

SCHEMBL7478575

CC(C)(C)/[N+]([O-])=C/c1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
NPBWR1 P48145 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TNKS O95271 4/20 0.38
TNKS2 Q9H2K2 4/20 0.38
PARP2 Q9UGN5 2/20 0.38
GUSB P08236 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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) MAPTMMP2MMP9MMP8MMP13
SCHEMBL7472583 0.84 TNKS (0.32) MAPTNPC1RAB9ATNKSTNKS2
SCHEMBL7471032 0.84 ALPL (0.36) MAPTNPC1RAB9AHTTNPBWR1
SCHEMBL7465381 0.83 MEN1 (0.33) MAPTNPC1RAB9ANPBWR1MEN1
SCHEMBL7474017 0.82 PKN1 (0.32) MAPTNPC1RAB9AHTTALDH1A1
SCHEMBL27480827 0.82 PKN1 (0.32) MAPTNPC1RAB9AHTTALDH1A1
SCHEMBL7473020 0.82 ALDH1A1 (0.36) MAPTNPC1RAB9AGUSBALDH1A1
SCHEMBL7473052 0.82 KDM4E (0.40) MAPTNPC1RAB9AHTTNPBWR1
SCHEMBL7462399 0.82 ALOX5 (0.32)
SCHEMBL7475233 0.82 GFER (0.38) NPC1RAB9ANPBWR1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1153766-C Nitroketone compound, its preparing process and pharmaceutical composition containing same ɪά��ʵ���� 2004-06-16 CN disclosed
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