SCHEMBL9331183

SCHEMBL9331183

COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(C)[nH]2)cc(OC)c1O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 16/20 0.73
NOX1 Q9Y5S8 2/20 0.55
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
AMY1A P0DUB6 2/20 0.45

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
Hydrochloric Acid SCHEMBL1735170 0.99 SMPD3 (0.71) SMPD3NOX1MAPTTP53KDM4E
SCHEMBL9425243 0.89 NOX1 (0.58) SMPD3NOX1GAA
Hydrochloric Acid SCHEMBL9426019 0.88 NOX1 (0.57) SMPD3NOX1GAA
SCHEMBL175592 0.88 SMPD3 (0.75) SMPD3NOX1MAPTTP53KDM4E
Hydrochloric Acid SCHEMBL9648176 0.86 SMPD3 (0.73) SMPD3NOX1MAPTTP53KDM4E
SCHEMBL9425807 0.84 SMPD3 (0.52) SMPD3NOX1MAPTTP53AMY1A
SCHEMBL9425683 0.83 SMPD3 (0.82) SMPD3NOX1MAPTTP53KDM4E
SCHEMBL9188234 0.83 SMPD3 (0.54) SMPD3NOX1MAPTTP53KDM4E
SCHEMBL9425988 0.83 SMPD3 (0.51) SMPD3NOX1MAPTTP53KDM4E
SCHEMBL9426226 0.82 AMY1A (0.53) SMPD3NOX1MAPTKDM4EMEN1

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
EP-0256562-B1 Dry-type multilayer analytical element FUJI PHOTO FILM CO LTD (JP) 1994-04-06 EP disclosed
US-5004685-A Support with chromogen, peroxidatively active material, oxidase, ferrocyanide; measures amount of hydrogen peroxide produced by analyte FUJI PHOTO FILM CO., LTD. (JP) 1991-04-02 US disclosed