SCHEMBL11415151

SCHEMBL11415151

Cc1ccc(C=[N+]([O-])c2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
MAPT P10636 9/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
RECQL P46063 1/20 0.56
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
G6PD P11413 3/20 0.47
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 2/20 0.35
TTR P02766 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL11415342 0.85 ALDH1A1 (0.51) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11406277 0.85 MAPT (0.60) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11414157 0.85 ALDH1A1 (0.51) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11403120 0.85 MAPT (0.51) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11414123 0.85 ALDH1A1 (0.60) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11410246 0.84 ALDH1A1 (0.53) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11410190 0.82 G6PD (0.56) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11407524 0.81 ALDH1A1 (0.51) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL19875637 0.80 ALDH1A1 (0.80) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11408631 0.79 ALDH1A1 (0.67) ALDH1A1MAPTALOX15TSHRRECQL

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
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed