SCHEMBL5506784

SCHEMBL5506784

CCOC(=N)COc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PLA2G4B P0C869 1/20 0.49
MAOB P27338 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 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
SCHEMBL7009532 0.87 KMT2A (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20830918 0.85 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL7370844 0.84 SMN1; SMN2 (0.55) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL4500586 0.82 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL340618 0.82 MAOB (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL11408485 0.82 KMT2A (0.76) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6539797 0.82 ALDH1A1 (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL50807 0.80 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL21546008 0.80 KMT2A (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2830303 0.80 KMT2A (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848688-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION The Scripps Research Institute (US) 2007-10-31 EP disclosed
WO-2006086517-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-17 WO disclosed