SCHEMBL5362864

SCHEMBL5362864

CC(=O)C(C(C)=O)c1c2ccccc2cc2ccccc12.Oc1ccccc1N=Nc1ccccc1O.[Al]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 2/20 0.36

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
SCHEMBL5367401 0.84 ALDH1A1 (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5358761 0.71 MYLK (0.32) KDM4EMEN1KMT2AALDH1A1
SCHEMBL7543544 0.69 MAPT (0.67) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7189843 0.69 MAPT (0.67) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL131175 0.68 MAPT (1.00) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL574042 0.68 MAPT (1.00) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL29354111 0.68 MAPT (1.00) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL23483739 0.67 MAPT (0.53) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL6707273 0.66 MAPT (0.94) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL625151 0.66 MAPT (0.94) MAPTKDM4EMEN1KMT2ANPC1

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
US-7232616-B2 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2007-06-19 US disclosed
US-20040001970-A1 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2004-01-01 US disclosed