SCHEMBL3075296

SCHEMBL3075296

CCN(CCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.80
TDP1 Q9NUW8 3/20 0.80
AR P10275 6/20 0.42
IGLV6-57 P01721 2/20 0.41
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 2/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 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
SCHEMBL29421600 1.00 KDM4E (0.80) KDM4ETDP1ARIGLV6-57AOC3
SCHEMBL29394268 0.90 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL437558 0.90 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL14321770 0.90 KDM4E (0.97) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL29421583 0.89 KDM4E (1.00) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL436768 0.89 KDM4E (1.00) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL3780116 0.87 KDM4E (0.68) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL19411235 0.85 KDM4E (0.88) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL5567066 0.85 KDM4E (0.75) KDM4ETDP1ARIGLV6-57ALDH1A1
SCHEMBL12208991 0.84 KDM4E (0.78) KDM4ETDP1ARIGLV6-57ALDH1A1

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-20110052448-A1 SPECIFIC COMPONENT MEASURING METHOD BY SPECTRAL MEASUREMENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-03 US disclosed
US-7795034-B2 Specific component measuring method by spectral measurement WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20060170914-A1 Specific component measuring method by spectral measurement WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
EP-1643240-A1 SPECIFIC COMPONENT MEASURING METHOD BY SPECTRAL MEASUREMENT Wako Pure Chemical Industries, Ltd. (JP) 2006-04-05 EP disclosed