SCHEMBL6566211

SCHEMBL6566211

CCC[N+]([O-])=Cc1cc[n+]([O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3454524 0.89 MEN1 (0.39) MEN1GAAMAPTCASP1BRCA1
SCHEMBL13479005 0.79 ALOX5 (0.36) MAPTKMT2A
SCHEMBL14992419 0.76 ALDH1A1 (0.43) MAPTKMT2A
SCHEMBL14992417 0.76 ALDH1A1 (0.43) MAPTKMT2A
SCHEMBL828962 0.69 GAA (0.39) MEN1GAAMAPTCASP1BRCA1
SCHEMBL264463 0.68 G6PD (0.38) GAAMAPTKMT2A
SCHEMBL6153918 0.67 NR5A1 (0.50) GAAMAPT
SCHEMBL1404270 0.61 G6PD (0.42) GAAMAPTKMT2A
SCHEMBL1434203 0.61
SCHEMBL6181011 0.60 CA2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910370-B1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING UVEITIS CENTAUR PHARMACEUTICALS INC (US) 2004-04-07 EP claimed
JP-2000509375-A 2000-07-25 JP claimed
US-5972977-A ALPHA-(4-PYRIDYL 1-OXIDE)-N-HYDROCARBYLNITRON USEFUL FOR TREATING EYE INFLAMMATION CONDITION SUCH AS UVEITIS CENTAUR PHARMACEUTICALS, INC. (US) 1999-10-26 US claimed
EP-0910370-A1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING OCULAR INFLAMMATION CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-28 EP claimed
WO-1997039751-A1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING OCULAR INFLAMMATION CENTAUR PHARMACEUTICALS, INC. (US) 1997-10-30 WO claimed
EP-0910370-B1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING UVEITIS CENTAUR PHARMACEUTICALS INC (US) 2004-04-07 EP disclosed
US-6140356-A Opthalmic pharmaceutical compositions comprising a nitrone compound and methods for treating ocular inflammation using such compositions CENTAUR PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-5972977-A ALPHA-(4-PYRIDYL 1-OXIDE)-N-HYDROCARBYLNITRON USEFUL FOR TREATING EYE INFLAMMATION CONDITION SUCH AS UVEITIS CENTAUR PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
EP-0910370-A1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING OCULAR INFLAMMATION CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-28 EP disclosed
WO-1997039751-A1 COMPOSITIONS COMPRISING A NITRONE COMPOUND FOR USE IN TREATING OCULAR INFLAMMATION CENTAUR PHARMACEUTICALS, INC. (US) 1997-10-30 WO disclosed