SCHEMBL16077922

SCHEMBL16077922

C/C(=N\c1ccccc1C(C)C)c1ncnc(/C(C)=N/c2ccccc2C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
GABRA1 P14867 3/20 0.35
GABRB2 P47870 2/20 0.35
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL5589848 1.00 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL16077935 0.83 GABRA1 (0.38) SIGMAR1GABRA1GABRB2GABRG2GABRB3
SCHEMBL5586905 0.83 GABRA1 (0.38) SIGMAR1GABRA1GABRB2GABRG2GABRB3
SCHEMBL16077921 0.82 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5587571 0.82 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5589081 0.81 TRPA1 (0.37) SCN5ASCN2ALMNAHPGDSLC6A2
SCHEMBL5591158 0.79 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587675 0.78 GABRA1 (0.34) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL4618229 0.78 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL30635011 0.78 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D

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-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
US-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
US-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed