SCHEMBL7472583

SCHEMBL7472583

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK13 O15264 1/20 0.31
RIPK2 O43353 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 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 0.87 NISCH (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7475233 0.86 GFER (0.38) TNKSTNKS2RAB9AKDM4ENPC1
SCHEMBL27552770 0.86 ALPL (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7471032 0.86 ALPL (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7465381 0.86 MEN1 (0.33) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7474017 0.84 PKN1 (0.32) ALDH1A1MGAMGAASIMGAM2
SCHEMBL27480827 0.84 PKN1 (0.32) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7478575 0.84 MAPT (0.40) TNKSPARP1TNKS2ALDH1A1RAB9A
SCHEMBL7473052 0.84 KDM4E (0.40) TNKSPARP1TNKS2ALDH1A1TP53
SCHEMBL7473020 0.84 ALDH1A1 (0.36) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2

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