SCHEMBL11404347

SCHEMBL11404347

Nc1ccc([N+]([O-])=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
MAPT P10636 6/20 0.69
NPC1 O15118 3/20 0.69
G6PD P11413 3/20 0.68
HSP90AA1 P07900 1/20 0.47
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
FBP1 P09467 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL11414227 0.90 ALDH1A1 (0.81) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11410425 0.81 MAPT (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL13186603 0.81 ALDH1A1 (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11414134 0.81 MAPT (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11412993 0.81 ALDH1A1 (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11410228 0.81 MAPT (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11407123 0.81 ALDH1A1 (1.00) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL11403099 0.81 ALDH1A1 (0.69) ALDH1A1MAPTNPC1G6PDHSP90AA1
SCHEMBL8041871 0.81 ALDH1A1 (0.67) ALDH1A1MAPTNPC1G6PDALOX15
SCHEMBL11420970 0.81 ALDH1A1 (0.67) ALDH1A1MAPTNPC1G6PDALOX15

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