SCHEMBL8978070

SCHEMBL8978070

CCOC(=O)c1c[nH]nc1NNC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
NUDT1 P36639 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL17785271 0.85 GLA (0.47) GAAMEN1KMT2ATSHRLMNA
SCHEMBL2701548 0.82 ADORA3 (0.42) GAAMEN1KMT2ATSHRLMNA
SCHEMBL13871639 0.81 KMT2A (0.46) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL2699548 0.80 KDM4E (0.48) GAAMEN1KMT2ATSHRLMNA
Hydrochloric Acid SCHEMBL2702233 0.79 KDM4E (0.47) GAAMEN1KMT2ATSHRLMNA
SCHEMBL7823889 0.78 GAA (0.38) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL7420973 0.77 ALDH1A1 (0.41) GAAMEN1KMT2ATSHRLMNA
SCHEMBL7966204 0.77 ALDH1A1 (0.41) GAAMEN1KMT2ATSHRLMNA
SCHEMBL6320216 0.77 ALDH1A1 (0.44) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL3356162 0.74 KMT2A (0.49) GAAMEN1KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed