SCHEMBL7476977

SCHEMBL7476977

COc1cc(NC(=O)C(C)c2ccc(NC(=O)Nc3ccccc3N)cc2)c(C(C)=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RCE1 Q9Y256 1/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
EPHA2 P29317 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 6/20 0.49
MEN1 O00255 6/20 0.47

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
SCHEMBL7482289 0.91 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7477799 0.90 MAPT (0.53) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7476722 0.88 MAPT (0.50) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7482806 0.87 LMNA (0.54) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7472611 0.85 MAPT (0.53) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7479629 0.85 MAPT (0.59) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7480913 0.85 MAPT (0.52) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7486615 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7476164 0.83 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL7481904 0.83 MAPT (0.56) KDM4EALDH1A1HPGDHSD17B10NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229010-A1 NOVEL DIARYLAMIDE DERIVATIVES AND USE THEREOF AS MEDICINES Japan Energy Corporation (JP) 2002-08-07 EP disclosed