SCHEMBL6131947

SCHEMBL6131947

COc1cc2c(cc1OC)CN(Cc1c(Br)cc(OC)c(OC(=O)N(C)C)c1Br)CC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
DRD4 P21917 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6132011 0.80 KDM4E (0.65) KDM4EMAPTGAARAB9ACA2
SCHEMBL6131953 0.76 KDM4E (0.66) KDM4EMAPTGAARAB9AKMT2A
SCHEMBL6131812 0.74 ALDH1A1 (0.52) KDM4EMAPTTSHRKMT2AMEN1
SCHEMBL3051727 0.68 CA9 (0.82) KDM4EMAPTGAARAB9ACA2
Hydrochloric Acid SCHEMBL10755161 0.67 CA9 (0.81) KDM4EMAPTGAARAB9ACA2
SCHEMBL12226493 0.67 L3MBTL1 (0.72) KDM4EMAPTGAARAB9ATSHR
SCHEMBL6806983 0.67 L3MBTL1 (0.68) KDM4EMAPTGAARAB9ATSHR
SCHEMBL14876328 0.66 L3MBTL1 (0.66) KDM4EMAPTGAARAB9ATSHR
SCHEMBL5456103 0.66 L3MBTL1 (0.66) KDM4EMAPTGAARAB9ATSHR
Hydrochloric Acid SCHEMBL14876546 0.66 L3MBTL1 (0.66) KDM4EMAPTGAARAB9ATSHR

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