SCHEMBL8544170

SCHEMBL8544170

CC(C)(C)C(=NCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.53
GRIN1 Q05586 7/20 0.53
NOS2 P35228 1/20 0.48
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SCN2A Q99250 1/20 0.39
BLM P54132 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
SCHEMBL28261144 0.82 GRIN2B (0.47) GRIN2BGRIN1NOS2GAANPC1
SCHEMBL28261143 0.82 GRIN2B (0.47) GRIN2BGRIN1NOS2GAANPC1
SCHEMBL18383468 0.82 GRIN2B (0.47) GRIN2BGRIN1NOS2GAANPC1
SCHEMBL14189112 0.78 NOS2 (0.53) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL15944878 0.74 NOS2 (0.50) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL164345 0.74 GRIN2B (0.59) GRIN2BGRIN1NOS2NPC1GRIN2D
SCHEMBL2206812 0.74 GRIN2B (0.59) GRIN2BGRIN1NOS2NPC1GRIN2D
SCHEMBL987917 0.74 GRIN2B (0.59) GRIN2BGRIN1NOS2NPC1GRIN2D
SCHEMBL14215819 0.73 NOS2 (0.48) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL5075641 0.73 GRIN2B (0.63) GRIN2BGRIN1NOS2NPC1GRIN2D

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
EP-0671385-B1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO LTD (JP) 1998-10-14 EP disclosed
US-5663423-A Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO., LTD (JP) 1997-09-02 US disclosed
US-5532360-A REACTING WITH AZOMETHINE COMPOUND TO FORM HETEROCYCLIC COMPOUND NIPPON PAINT CO., LTD. (JP) 1996-07-02 US disclosed
EP-0671385-A1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound Nippon Paint Co., Ltd. (JP) 1995-09-13 EP disclosed