SCHEMBL14257646

SCHEMBL14257646

O=C1C(=O)c2ccc([N+](=O)[O-])c3cccc1c23

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.69
KMT2A Q03164 11/20 0.69
NPC1 O15118 6/20 0.69
RAB9A P51151 4/20 0.69
BCHE P06276 1/20 0.63
ACHE P22303 1/20 0.63
CES1 P23141 1/20 0.63
POLB P06746 6/20 0.57
NPSR1 Q6W5P4 5/20 0.57
CCR6 P51684 3/20 0.57
S1PR4 O95977 3/20 0.57
S1PR1 P21453 3/20 0.57
HPGD P15428 1/20 0.57
XBP1 P17861 1/20 0.57
S100A4 P26447 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL7168071 0.90 MEN1 (0.61) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL29496746 0.90 MEN1 (0.61) MEN1KMT2ANPC1RAB9ABCHE
Ammonia Solution, Strong SCHEMBL6416651 0.89 MEN1 (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2771142 0.87 MEN1 (0.66) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL29450701 0.87 MEN1 (0.66) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1892650 0.86 MEN1 (0.65) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL30582767 0.86 MEN1 (0.65) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL767178 0.84 MEN1 (0.63) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8618712 0.82 MEN1 (0.73) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7709407 0.82 KMT2A (1.00) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592984-A Nitroreductase specific fluorescent probe and application thereof CHANGSHU RES INST OF DLUT CO LTD 2015-05-06 CN claimed
CN-113845448-B Radioactivity (P) 18 F-labelled compounds and uses thereof 厦门大学 2023-07-07 CN disclosed
CN-113845448-A Radioactivity18F-labeled compound and application thereof 厦门大学 2021-12-28 CN disclosed
CN-104829488-B A kind of support type α diimine metal complexes and its application in olefin polymerization 天津工业大学 2017-03-01 CN disclosed
CN-104926686-B A kind of alpha-diimine compound and comprise the metal complex of this compound, loaded article and its application 河北工业大学 2016-11-09 CN disclosed
CN-104926686-A Alpha-diimine compound, metal complex and load containing compound and application thereof UNIV HEBEI TECHNOLOGY 2015-09-23 CN disclosed
CN-104829488-A Supported alpha-diimine metal complex, and its application in olefin polymerization UNIV TIANJIN POLYTECHNIC 2015-08-12 CN disclosed
CN-104829643-A Alpha-diimine compound with alkyloxysilicon and application of supported metal complex of alpha-diimine compound with alkyloxysilicon UNIV HEBEI TECHNOLOGY 2015-08-12 CN disclosed
CN-104592984-A Nitroreductase specific fluorescent probe and application thereof CHANGSHU RES INST OF DLUT CO LTD 2015-05-06 CN disclosed
CN-104592984-A Nitroreductase specific fluorescent probe and application thereof CHANGSHU RES INST OF DLUT CO LTD 2015-05-06 CN disclosed
WO-2008025941-A2 COMPOUNDS FOR IMAGING AND THERAPY ISIS INNOVATION LIMITED (GB) 2008-03-06 WO disclosed