SCHEMBL16760968

SCHEMBL16760968

ON=C(C(=NO)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
PLK1 P53350 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PTK2B Q14289 1/20 0.46
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL13656516 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10700994 0.82 NR4A1 (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL8166247 0.80 PLK1 (0.51) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL8166244 0.80 PLK1 (0.51) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL25335300 0.78 NR4A1 (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL17134284 0.78 CASP3 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30173208 0.78 CASP3 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL103070 0.78 NR4A1 (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6247557 0.78 CASP3 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2494543 0.75 NR4A1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8

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
WO-2015082592-A2 METHOD FOR PREPARING AMINOARYLBORANE COMPOUNDS OR DERIVATIVES THEREOF Universite de Bordeaux (FR) 2015-06-11 WO disclosed
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed