SCHEMBL4083138

SCHEMBL4083138

N#Cc1cccc(C(c2cccc(C#N)c2)c2cccc(C#N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
TSHR P16473 1/20 0.46
GSK3B P49841 2/20 0.44
CYP19A1 P11511 2/20 0.44
CLK4 Q9HAZ1 1/20 0.44
GRM4 Q14833 1/20 0.43
TNF P01375 1/20 0.41
GLA P06280 1/20 0.41
S1PR1 P21453 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 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
SCHEMBL2514465 0.82 ENPP2 (0.44) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL1343700 0.82 GSK3B (0.46) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL4693798 0.82 ENPP2 (0.48) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL11615116 0.82 GSK3B (0.50) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL104898 0.82 GLA (0.46) ENPP2TSHRGSK3BCLK4GLA
SCHEMBL11601220 0.82 ENPP2 (0.48) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL3882898 0.82 GSK3B (0.50) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL2939744 0.82 GRM4 (0.44) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL30876217 0.82 ENPP2 (0.44) ENPP2TSHRGSK3BCLK4GRM4
SCHEMBL19729074 0.80 GLA (0.41) ENPP2GSK3BGRM4GLAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed