SCHEMBL9480896

SCHEMBL9480896

O=C(c1cccc2ccccc12)N(O)c1ccc(N(O)C(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49
CDC25B P30305 1/20 0.49
PLK1 P53350 1/20 0.49
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTK2B Q14289 1/20 0.43
POLB P06746 3/20 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
SCHEMBL6803306 0.89 NR4A1 (0.47) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480890 0.85 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2230795 0.82 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10995822 0.79 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27813032 0.79 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9548533 0.78 NR4A1 (0.60) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2113799 0.77 ESR1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6803304 0.77 NR4A1 (0.46) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10407111 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29002838 0.77 NR4A1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185435-A PROCESS FOR THE PREPARATION OF BISAZO PIGMENTS IN HALOGEN-FREE SOLVENTS CIBA-GEIGY CORPORATION (US) 1993-02-09 US disclosed