SCHEMBL7472105

SCHEMBL7472105

CC(C)(C)/[N+]([O-])=C/c1c[nH]c(-c2cccc(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MPI P34949 1/20 0.39
GFER P55789 1/20 0.39
NPBWR1 P48145 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
IDO1 P14902 3/20 0.37
PIN1 Q13526 1/20 0.36
CXCR2 P25025 1/20 0.35
NPY5R Q15761 1/20 0.35
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
CNR2 P34972 1/20 0.34
STK3 Q13188 2/20 0.34
TYMP P19971 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL7471032 0.84 ALPL (0.36) GAAKDM4EALDH1A1NPBWR1MGAM
SCHEMBL27552770 0.84 ALPL (0.36) GAAKDM4EALDH1A1NPBWR1MGAM
SCHEMBL7465381 0.84 MEN1 (0.33) KDM4EALDH1A1NPBWR1NPY5RMAP4K4
SCHEMBL7470009 0.81 CYP11B1 (0.35) KDM4EALDH1A1GFERPDGFRB
SCHEMBL27481618 0.80 RAB9A (0.38) KDM4EALDH1A1NPY5RGSK3BDYRK1A
SCHEMBL7472593 0.80 RAB9A (0.38) KDM4EALDH1A1NPY5RGSK3BDYRK1A
SCHEMBL27480827 0.78 PKN1 (0.32) GAAKDM4EALDH1A1MGAMSI
SCHEMBL7479201 0.78 NISCH (0.35) ALDH1A1NPBWR1
SCHEMBL7474017 0.78 PKN1 (0.32) GAAKDM4EALDH1A1MGAMSI
SCHEMBL7467570 0.77 ALDH1A1 (0.36) GAAKDM4EALDH1A1NPBWR1MGAM

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