SCHEMBL9683690

SCHEMBL9683690

CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(N(CC)CC)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.55
NOX1 Q9Y5S8 4/20 0.53
MAPT P10636 11/20 0.50
TP53 P04637 5/20 0.50
THRB P10828 1/20 0.48
MPO P05164 1/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL9684940 0.89 SMPD3 (0.70) SMPD3NOX1MAPTTP53THRB
SCHEMBL14301895 0.85 SMPD3 (0.64) SMPD3NOX1MAPTTP53THRB
SCHEMBL12743187 0.84 SMPD3 (0.59) SMPD3NOX1MAPTTP53THRB
SCHEMBL12824033 0.82 SMPD3 (0.60) SMPD3NOX1MAPTTP53THRB
SCHEMBL15849234 0.81 SMPD3 (0.59) SMPD3NOX1MAPTTP53THRB
SCHEMBL12928705 0.81 NOX1 (0.45) SMPD3NOX1MAPT
SCHEMBL12106036 0.81 SMPD3 (0.62) SMPD3NOX1MAPTTP53THRB
SCHEMBL12152262 0.81 SMPD3 (0.59) SMPD3NOX1MAPTTP53THRB
SCHEMBL12152263 0.80 SMPD3 (0.57) SMPD3NOX1MAPTTP53THRB
SCHEMBL12743185 0.80 SMPD3 (0.54) SMPD3NOX1MAPTTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164512-A Triarylimidazole derivative, determination of hydrogen peroxide generated by enzymatic reaction WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-17 US disclosed
EP-0404526-A1 Oxidizable color producing reagent WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-12-27 EP disclosed