SCHEMBL6131859

SCHEMBL6131859

COc1cc(Cl)c(CN2CCN(c3ccccn3)CC2)cc1OC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.54
KDM4E B2RXH2 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HTR4 Q13639 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOD2 Q9HC29 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6131848 1.00 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HTR4KMT2A
SCHEMBL7686968 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL6131964 0.86 HTR4 (0.56) ALDH1A1KDM4ESMN1; SMN2HTR4KMT2A
Bicarbonate SCHEMBL6131884 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
Bicarbonate SCHEMBL6131829 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL6131902 0.85 KDM4E (0.53) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL6131883 0.85 KDM4E (0.53) ALDH1A1KDM4ELMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL6131896 0.85 KDM4E (0.53) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL6132095 0.84 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL6131823 0.83 KDM4E (0.59) ALDH1A1KDM4EKMT2ALMNAMAPT

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 7 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
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
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
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed