SCHEMBL6132011

SCHEMBL6132011

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
RAB9A P51151 1/20 0.65
TDP1 Q9NUW8 1/20 0.55
ABCB1 P08183 8/20 0.54
ABCC1 P33527 3/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
KMT2A Q03164 2/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
DHCR7 Q9UBM7 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6131947 0.80 KDM4E (0.47) KDM4EMAPTGAARAB9ATDP1
SCHEMBL2769113 0.73 ABCB1 (0.68) KDM4EMAPTGAARAB9AABCB1
SCHEMBL913887 0.72 ABCB1 (0.67) KDM4EMAPTGAARAB9ATDP1
SCHEMBL3059412 0.72 KDM4E (0.86) KDM4EMAPTGAARAB9ATDP1
SCHEMBL3324219 0.72 KDM4E (0.63) KDM4EMAPTGAARAB9ATDP1
SCHEMBL7680660 0.71 MAPK1 (0.58) KDM4EMAPTGAARAB9ATDP1
SCHEMBL25568846 0.71 ABCB1 (0.80) KDM4EMAPTGAARAB9AABCB1
SCHEMBL6132050 0.71 ABCB1 (0.82) KDM4EMAPTGAARAB9ATDP1
SCHEMBL3058965 0.71 CA2 (0.67) KDM4EMAPTGAARAB9ATDP1
SCHEMBL6369583 0.71 ABCB1 (0.69) KDM4EMAPTGAARAB9ATDP1

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