SCHEMBL11404342

SCHEMBL11404342

Cc1cc([N+]([O-])=Cc2ccccc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.56
MAPT P10636 11/20 0.51
ALDH1A1 P00352 10/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL11404147 0.87 MAPT (0.51) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11410190 0.85 G6PD (0.56) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11414123 0.84 ALDH1A1 (0.60) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11406439 0.81 G6PD (0.60) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11405206 0.80 G6PD (0.53) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11414206 0.77 G6PD (0.51) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11406270 0.77 G6PD (0.60) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL11411200 0.77 G6PD (0.47) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL2243835 0.77 PTGS1 (0.53) G6PDMAPTALDH1A1ALOX15TSHR
SCHEMBL12355310 0.77 PTGS1 (0.53) G6PDMAPTALDH1A1ALOX15TSHR

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