SCHEMBL6131953

SCHEMBL6131953

COc1cc2c(cc1OC)CN(Cc1ccc(OC(=O)N(C)C)c(OC)c1)CC2

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
ABCB1 P08183 9/20 0.60
ABCC1 P33527 3/20 0.59
KMT2A Q03164 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.58

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
SCHEMBL6132063 0.87 KDM4E (0.66) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL3059412 0.80 KDM4E (0.86) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL6132050 0.80 ABCB1 (0.82) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL29836069 0.76 KDM4E (0.93) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL9416542 0.76 KDM4E (0.79) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL6131832 0.76 KDM4E (0.63) KDM4EKMT2A
SCHEMBL6131947 0.76 KDM4E (0.47) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL3056516 0.76 KDM4E (0.66) KDM4ETDP1GAAMAPTRAB9A
SCHEMBL3049161 0.75 CA9 (0.78) KDM4ETDP1GAAMAPTRAB9A
Hydrochloric Acid SCHEMBL6131893 0.75 KDM4E (0.62) KDM4EKMT2A

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 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