SCHEMBL8977952

SCHEMBL8977952

CCOC(=O)c1nnc2cc(C)[nH]n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 4/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4611248 0.71 KDM4E (0.61) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17454179 0.69 KDM4E (0.56) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL4294001 0.68 PDE4A (0.42) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL19127838 0.67 MAPT (0.44) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17454167 0.67 KDM4E (0.56) KDM4EALDH1A1KMT2APOLBHPGD
SCHEMBL17452559 0.67 MAPK1 (0.59) KDM4EALDH1A1POLBHPGDTSHR
SCHEMBL18366378 0.66 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL30980408 0.66 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL1775497 0.65 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL17222984 0.65 MAPT (0.45) KDM4EALDH1A1MAPTKMT2AMEN1

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