SCHEMBL28167656

SCHEMBL28167656

CCN(CC)c1ccc(C=O)c(OCCCCBr)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CA9 Q16790 2/20 0.44
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
BACE1 P56817 3/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL28559491 0.92 ALDH1A1 (0.67) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL7037114 0.87 ALDH1A1 (0.68) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL14712980 0.86 ALDH1A1 (0.70) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL3224984 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL5146907 0.83 ALDH1A1 (0.74) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL3221764 0.79 ALDH1A1 (0.73) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
Bromide SCHEMBL28234389 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL2950989 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL28370301 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1CA9ALDH3A1ALDH1A3
SCHEMBL31457112 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDBACE1

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
CN-107043372-A A kind of flavones fluorescence probe of targetted mitochondria and preparation method and application 深圳大学 2017-08-15 CN disclosed