SCHEMBL15435848

SCHEMBL15435848

COc1cc2cc(-c3cc(C)c(O)c(C)c3)n(N)c(=O)c2c(OC)c1CN1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 3/20 0.36
BRD4 O60885 2/20 0.36
BRD9 Q9H8M2 2/20 0.36
RECQL P46063 2/20 0.36
BLM P54132 2/20 0.36
ERAP1 Q9NZ08 1/20 0.35
USP2 O75604 2/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL347632 0.80 TP53 (0.40) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL349746 0.71 TP53 (0.40) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL348437 0.69 MAPT (0.38) POLBMAPTKDM4EALDH1A1TDP1
SCHEMBL30434436 0.66 BRD4 (0.47) MAPTTP53RXFP1BRD4
SCHEMBL145199 0.66 BRD4 (0.47) MAPTTP53RXFP1BRD4
SCHEMBL1427544 0.65 GAA (0.55) GAAPOLBMAPTKDM4EALDH1A1
SCHEMBL1427541 0.64 GAA (0.61) GAAPOLBKDM4EALDH1A1TDP1
SCHEMBL28782008 0.63 JAK2 (0.44) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL23783633 0.62 GAA (0.54) GAAPOLBKDM4EALDH1A1TDP1
SCHEMBL349170 0.61 XDH (0.44) GAAMAPTTP53KDM4EALDH1A1

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-2118074-B1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2014-01-22 EP disclosed