SCHEMBL9425971

SCHEMBL9425971

COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.54
NOX1 Q9Y5S8 4/20 0.53
MAPT P10636 8/20 0.49
TP53 P04637 3/20 0.49
MPO P05164 1/20 0.49
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
THRB P10828 1/20 0.45
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9425807 0.89 SMPD3 (0.52) SMPD3NOX1MAPTTP53MPO
SCHEMBL175592 0.84 SMPD3 (0.75) SMPD3NOX1MAPTTP53MPO
SCHEMBL9425980 0.84 SMPD3 (0.53) SMPD3NOX1MAPTTP53MPO
Hydrochloric Acid SCHEMBL9648176 0.83 SMPD3 (0.73) SMPD3NOX1MAPTTP53MPO
SCHEMBL9186957 0.82 MPO (0.56) SMPD3NOX1MAPTTP53MPO
SCHEMBL3623105 0.81 ALOX5 (0.41) SMPD3NOX1MAPTTP53MPO
SCHEMBL5676205 0.81 NOX1 (0.76) SMPD3NOX1MAPTTP53MPO
SCHEMBL9425822 0.81 NOX1 (0.60) SMPD3NOX1MAPTTP53MPO
SCHEMBL9425683 0.80 SMPD3 (0.82) SMPD3NOX1MAPTTP53MPO
SCHEMBL9426226 0.79 AMY1A (0.53) SMPD3NOX1MAPTMPOALOX5

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-5292669-A Chromogenic agent, oxidizer BOEHRINGER MANNHEIM GMBH (DE) 1994-03-08 US claimed
US-5292669-A Chromogenic agent, oxidizer BOEHRINGER MANNHEIM GMBH (DE) 1994-03-08 US disclosed