SCHEMBL7057640

SCHEMBL7057640

Oc1c2c(cc3ccccc13)CC=CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
CASP6 P55212 1/20 0.39
NQO2 P16083 1/20 0.38
LDHA P00338 1/20 0.38
NQO1 P15559 1/20 0.38
POLB P06746 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL30226888 1.00 PTPN22 (0.39) PTPN22TRPM4CASP6NQO2LDHA
SCHEMBL7356245 0.80 PTPN22 (0.38) PTPN22TRPM4CASP6NQO2LDHA
SCHEMBL14875126 0.77 PTPN22 (0.42) PTPN22TRPM4CASP6NQO2LDHA
SCHEMBL787046 0.75 KDM4E (0.43) PTPN22POLBALDH1A1HSD17B10KDM4E
SCHEMBL29793907 0.75 KDM4E (0.43) PTPN22POLBALDH1A1HSD17B10KDM4E
SCHEMBL29566358 0.75 KDM4E (0.43) PTPN22POLBALDH1A1HSD17B10KDM4E
SCHEMBL11881361 0.74 BCL2L1 (0.41) PTPN22TRPM4CASP6NQO2LDHA
SCHEMBL5974811 0.73 KDM4E (0.41) PTPN22POLBALDH1A1HSD17B10KDM4E
SCHEMBL5974819 0.73 KDM4E (0.41) PTPN22POLBALDH1A1HSD17B10KDM4E
SCHEMBL30226879 0.72 KDM4E (0.42) POLBALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638356-B2 Gypsum as the main material and an anthraquinone compound incorporated. And suppresses, over a long period of time, generation of hydrogen sulfide by the action of sulfate-reducing bacteria, when it is landfilled as waste. KAWASAKI KASEI CHEMICALS LTD. (JP) 2003-10-28 US claimed
US-6638356-B2 Gypsum as the main material and an anthraquinone compound incorporated. And suppresses, over a long period of time, generation of hydrogen sulfide by the action of sulfate-reducing bacteria, when it is landfilled as waste. KAWASAKI KASEI CHEMICALS LTD. (JP) 2003-10-28 US disclosed
US-20030150363-A1 Incorporating an anthraquinone compound to which suppresses, over a long period of time, generation of hydrogen sulfide by the action of sulfate-reducing bacteria, when it is landfilled as waste. KAWASAKI KASEI CHEMICALS LTD. (JP) 2003-08-14 US disclosed