SCHEMBL14215819

SCHEMBL14215819

CC/C(=N/Cc1ccccc1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.48
GRIN2B Q13224 11/20 0.44
GRIN1 Q05586 6/20 0.44
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
TP53 P04637 1/20 0.38
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL14189112 0.78 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL15944878 0.74 NOS2 (0.50) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8544170 0.73 GRIN2B (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL16372137 0.71 GRIN2B (0.61) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL29293866 0.71 NOS2 (0.55) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068858 0.70 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068857 0.70 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL104888 0.70 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL16673266 0.69 NOS2 (0.59) NOS2GRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL18045044 0.68 NOS2 (0.57) NOS2GRIN2BGRIN1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375088-B2 Polyene polyketides, processes for their production and their use as a pharmaceutical THALLION PHARMACEUTICALS INC. (CA) 2008-05-20 US disclosed