SCHEMBL7472593

SCHEMBL7472593

CC(C)(C)/[N+]([O-])=C/c1c[nH]c(-c2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LDHA P00338 1/20 0.37
EPHX2 P34913 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
BTK Q06187 1/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGDS O60760 1/20 0.35
HPGD P15428 1/20 0.35
STAT1 P42224 1/20 0.35

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
SCHEMBL27481618 1.00 RAB9A (0.38) RAB9AKMT2AKIF11KDM4ELDHA
SCHEMBL7465381 0.86 MEN1 (0.33) RAB9AKMT2AKDM4EGSK3BDYRK1A
SCHEMBL27480827 0.85 PKN1 (0.32) RAB9AKIF11KDM4EALDH1A1CYP1A2
SCHEMBL7474017 0.85 PKN1 (0.32) RAB9AKIF11KDM4EALDH1A1CYP1A2
SCHEMBL7479201 0.80 NISCH (0.35) RAB9AKMT2AALDH1A1NPC1MAPT
SCHEMBL7472105 0.80 GAA (0.39) KDM4EGSK3BDYRK1AALDH1A1NPY5R
SCHEMBL7471032 0.78 ALPL (0.36) RAB9AKMT2AKDM4EALDH1A1NPC1
SCHEMBL7472583 0.78 TNKS (0.32) RAB9AKMT2AKDM4EDYRK1AALDH1A1
SCHEMBL7472388 0.78 PDGFRB (0.41) ALDH1A1CYP2A6CYP1A2
SCHEMBL7473052 0.76 KDM4E (0.40) RAB9AKMT2AKDM4EALDH1A1NPC1

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 2 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
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP disclosed