SCHEMBL28026099

SCHEMBL28026099

COc1ccc(N=Nc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
MAPK1 P28482 8/20 0.59
TDP1 Q9NUW8 6/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CASP7 P55210 1/20 0.57
GAA P10253 4/20 0.57
HTT P42858 3/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
PKM P14618 1/20 0.56
ALDH3A1 P30838 1/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
IDO1 P14902 1/20 0.51
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48

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
SCHEMBL3913669 0.92 MAPK1 (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL30310075 0.92 MAPK1 (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL6653475 0.83 MAPT (0.66) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11528602 0.82 MAPT (0.83) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11506844 0.80 ALDH1A1 (0.89) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL29040523 0.79 KMT2A (0.50) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL7912825 0.79 MAPK1 (0.70) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4930929 0.77 MAPT (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL497006 0.77 MAPK1 (0.73) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4947225 0.77 MAPT (0.67) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926684-B A kind of novel photochromic azobenzene compound and its synthetic method 湖北大学 2017-06-16 CN claimed
CN-104926684-B A kind of novel photochromic azobenzene compound and its synthetic method 湖北大学 2017-06-16 CN disclosed
CN-104926684-A Novel photochromic azobenzene compound and synthesis method thereof UNIV HUBEI 2015-09-23 CN disclosed