SCHEMBL7476978

SCHEMBL7476978

CC(C)(C)/[N+]([O-])=C/c1c[nH]c(-c2ccco2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL27481619 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAAPOBEC3G
SCHEMBL7465381 0.78 MEN1 (0.33) ALDH1A1KDM4EMEN1KMT2ACDK5
SCHEMBL8056565 0.78 ADRA2A (0.44) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL7471772 0.76 TMIGD3 (0.33)
SCHEMBL7468587 0.76 CHRM2 (0.30)
SCHEMBL2043379 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAAPOBEC3G
SCHEMBL7474017 0.74 PKN1 (0.32) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7479201 0.74 NISCH (0.35) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7467570 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAAAPOBEC3G
SCHEMBL7472593 0.74 RAB9A (0.38) ALDH1A1KDM4EHPGDKMT2AMAPT

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