SCHEMBL11405657

SCHEMBL11405657

CCc1ccc(C=[N+]([O-])c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 9/20 0.61
ALOX15 P16050 2/20 0.61
TSHR P16473 1/20 0.61
RECQL P46063 1/20 0.61
G6PD P11413 3/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
TP53 P04637 1/20 0.45
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 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
SCHEMBL9492230 0.93 G6PD (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL9492224 0.93 G6PD (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL9492237 0.93 G6PD (0.61) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL19875637 0.84 ALDH1A1 (0.80) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL9491155 0.84 ALDH1A1 (0.44) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL9491152 0.84 ALDH1A1 (0.44) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11408231 0.81 ALDH1A1 (0.59) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11409543 0.81 ALDH1A1 (0.51) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL264278 0.80 ALDH1A1 (0.73) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL12349218 0.80 ALDH1A1 (0.73) 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