SCHEMBL28596381

SCHEMBL28596381

NC(=[Se])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
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
KEAP1 Q14145 1/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL49654 0.79 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL31448236 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29393451 0.79 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29381201 0.77 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL4925726 0.77 L3MBTL1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30849325 0.77 NR4A1 (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30627985 0.77 L3MBTL1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL43084 0.77 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
Hydrochloric Acid SCHEMBL5847290 0.77 NR4A1 (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL3058525 0.77 NR4A1 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149879-B Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2022-08-16 CN claimed
CN-113149879-A Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2021-07-23 CN claimed
CN-113149879-B Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2022-08-16 CN disclosed
CN-113149879-B Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2022-08-16 CN disclosed
CN-113149879-A Preparation method of 4-seleno-naphthyl ester or 4-seleno-naphthyl amide 温州医科大学 2021-07-23 CN disclosed