SCHEMBL6780490

SCHEMBL6780490

O=c1[nH]cncc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
BLM P54132 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41

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
SCHEMBL27679889 0.70 MAPT (0.64) MAPTNPSR1KDM4ELMNACYP1A2
Hydrogen Sulfide SCHEMBL28172439 0.70
SCHEMBL1473281 0.69 TDP1 (0.56) LMNACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL1907079 0.67 IDO1 (0.54) MAPTNPSR1LMNACYP3A4HPGD
SCHEMBL22120275 0.67 ALDH1A1 (0.61) MAPTNPSR1KDM4EGRIN2DGRIN3B
SCHEMBL11227729 0.66 TTK (0.57) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL17464945 0.65 GRIN2D (0.44) MAPTKDM4EGRIN2DGRIN3BLMNA
SCHEMBL13164329 0.64 PNP (0.44) ALDH1A1
SCHEMBL14274453 0.64 CYP1A2 (0.46) MAPTKDM4EGRIN2DGRIN3BLMNA
SCHEMBL27748904 0.64 PARP1 (0.62) MAPTGRIN2DGRIN3BLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101863842-A Entecavir midbodies and synthesis method BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2010-10-20 CN disclosed
CN-101838270-A Intermediates of Entecavir and preparation thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY SUZHOU CO LTD 2010-09-22 CN disclosed
CN-101838207-A Intermediates of Entecavir and synthesis method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY SUZHOU CO LTD 2010-09-22 CN disclosed
CN-101830856-A Entecavir intermediates and preparation method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2010-09-15 CN disclosed
CN-101130542-B Synthesis of antiviral nucleoside analogues JIANGSU CHIA TAI TIANQING PHAR 2010-08-04 CN disclosed
CN-101130552-B Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO 2010-07-28 CN disclosed
CN-101130542-A Synthesis of antiviral nucleoside analogues JIANGSU CHIA TAI TIANQING PHAR (CN) 2008-02-27 CN disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
CN-1399632-A Pyrimidine derivative, process for producing the same, and pharmaceutical containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2003-02-26 CN disclosed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed