SCHEMBL9336017

SCHEMBL9336017

COCCN(CCOC)c1ccc(N=O)cc1.COc1ccc(N=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
GSK3B P49841 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL145683 0.87 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL15037449 0.79 ALDH1A1 (0.44) ALDH1A1HPGDMAPTGSK3BGAA
SCHEMBL279706 0.78 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23611530 0.75 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL30817926 0.75 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL18562084 0.73 KMT2A (0.37) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL145463 0.72 ALDH1A1 (0.38) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL24855995 0.70 ALDH1A1 (0.39) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL23996294 0.70 GSK3B (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29360890 0.69 ALDH1A1 (0.43) ALDH1A1GAAKDM4EPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US claimed