SCHEMBL6131849

SCHEMBL6131849

COc1cc(Br)c(CN2CCN(c3ccccc3Cl)CC2)c(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 3/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
BLM P54132 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 5/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
HTR7 P34969 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL7680660 0.91 MAPK1 (0.58) SMN1; SMN2GAAPOLBKDM4EALDH1A1
SCHEMBL6131855 0.81 ALDH1A1 (0.55) SMN1; SMN2L3MBTL1KDM4EALDH1A1TDP1
SCHEMBL6131781 0.79 KDM4E (0.69) SMN1; SMN2GAAPOLBPKMBLM
SCHEMBL6131921 0.79 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1KDM4EALDH1A1TDP1
SCHEMBL6131927 0.74 KDM4E (0.65) SMN1; SMN2GAAPOLBPKMBLM
SCHEMBL6131901 0.74 KDM4E (0.62) SMN1; SMN2GAAPOLBPKMBLM
SCHEMBL6131826 0.73 KDM4E (0.60) SMN1; SMN2GAAPOLBPKMBLM
SCHEMBL6904904 0.72 USP2 (0.66) SMN1; SMN2GAAKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11189440 0.72 USP2 (0.65) SMN1; SMN2GAAKDM4EALDH1A1TDP1
SCHEMBL6131779 0.71 KDM4E (0.64) SMN1; SMN2GAAKDM4EALDH1A1TDP1

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