SCHEMBL6132016

SCHEMBL6132016

COc1ccc(CNC2=NCCN2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.62
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
PTGIR P43119 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28904914 0.81 PTGIR (0.64) WDR5PTGIR
SCHEMBL10054979 0.80 PTGIR (0.69) WDR5GAAPTGIR
SCHEMBL6664237 0.80 HTR1B (0.61) WDR5GAAALDH1A1MAPTPTGIR
SCHEMBL21711660 0.79 WDR5 (1.00) WDR5
Hydrochloric Acid SCHEMBL4690087 0.78 PTGIR (0.71) PTGIR
SCHEMBL21712110 0.77 WDR5 (1.00) WDR5
SCHEMBL6670018 0.76 LMNA (0.54) WDR5GAAPTGIR
SCHEMBL8152769 0.75 WDR5 (0.69) WDR5PTGIR
SCHEMBL5438278 0.75 ADRA2A (0.66) PTGIR
SCHEMBL13063330 0.74 CYP2D6 (0.58) WDR5GAAPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed