SCHEMBL9425822

SCHEMBL9425822

COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccccc3)[nH]2)cc(OC)c1OP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.60
SMPD3 Q9NY59 4/20 0.58
MAPT P10636 13/20 0.55
TP53 P04637 5/20 0.55
MPO P05164 1/20 0.52
THRB P10828 1/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL9425980 0.96 SMPD3 (0.53) NOX1SMPD3MAPTTP53MPO
SCHEMBL9425988 0.86 SMPD3 (0.51) NOX1SMPD3MAPTTP53KDM4E
SCHEMBL9425683 0.84 SMPD3 (0.82) NOX1SMPD3MAPTTP53MPO
SCHEMBL9425971 0.81 SMPD3 (0.54) NOX1SMPD3MAPTTP53MPO
SCHEMBL24740657 0.80 MAPT (0.65) NOX1SMPD3MAPTTP53KDM4E
SCHEMBL30111710 0.80 MAPT (0.77) NOX1SMPD3MAPTKDM4EALDH1A1
SCHEMBL175592 0.80 SMPD3 (0.75) NOX1SMPD3MAPTTP53MPO
Hydrochloric Acid SCHEMBL9648176 0.79 SMPD3 (0.73) NOX1SMPD3MAPTTP53MPO
SCHEMBL9186957 0.78 MPO (0.56) NOX1SMPD3MAPTTP53MPO
SCHEMBL1071183 0.77 NOX1 (1.00) NOX1MAPTTP53KDM4EALDH1A1

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