SCHEMBL5211538

SCHEMBL5211538

O=[N+]([O-])c1cc(Nc2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.58
ABCC1 P33527 1/20 0.57
ABCB1 P08183 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CASP7 P55210 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL8374513 0.91 MAPK1 (0.60) ABCG2ABCC1ABCB1L3MBTL1HPGD
SCHEMBL4341820 0.83 MAPT (0.72) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL4353650 0.81 MAPT (0.63) HPGDALOX12MAPK1ALDH1A1TDP1
SCHEMBL5244119 0.80 MEN1 (0.68) ABCG2L3MBTL1HPGDALOX12MAPK1
SCHEMBL38659285 0.80 MEN1 (0.68) L3MBTL1HPGDALOX12MAPK1ALDH1A1
SCHEMBL23579273 0.80 MEN1 (0.57) L3MBTL1HPGDALOX12MAPK1ALDH1A1
SCHEMBL9793524 0.80 FFAR4 (0.62) L3MBTL1HPGDALOX12MAPK1ALDH1A1
SCHEMBL9650509 0.80 MEN1 (0.68) L3MBTL1HPGDALOX12MAPK1ALDH1A1
SCHEMBL28592893 0.80 L3MBTL1 (0.51) ABCG2ABCB1L3MBTL1HPGDALOX12
SCHEMBL6881421 0.79 HPGD (0.58) ABCG2ABCC1ABCB1L3MBTL1HPGD

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-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed