SCHEMBL10980404

SCHEMBL10980404

C=C(C)COC(=O)Nc1cc(C(C)(C)C)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK25 O00506 4/20 0.48
MAPK14 Q16539 4/20 0.44
CNR2 P34972 1/20 0.39
JAK3 P52333 2/20 0.37
BTK Q06187 2/20 0.37
MAPK13 O15264 1/20 0.37
KDR P35968 1/20 0.35
IGF1R P08069 2/20 0.35
CSNK1A1 P48729 1/20 0.35
BRAF P15056 1/20 0.34
PIK3C3 Q8NEB9 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
SCHEMBL10981098 0.85 STK25 (0.54) STK25MAPK14CNR2MAPK13IGF1R
SCHEMBL10981419 0.83 STK25 (0.47) STK25MAPK14CNR2JAK3BTK
SCHEMBL10982800 0.81 STK25 (0.48) STK25MAPK14CNR2MAPK13
SCHEMBL10985695 0.81 STK25 (0.52) STK25MAPK14CNR2JAK3BTK
SCHEMBL10979074 0.80 STK25 (0.47) STK25MAPK14CNR2JAK3BTK
SCHEMBL10987657 0.80 STK25 (0.65) STK25MAPK14
SCHEMBL11008356 0.79 MAPK14 (0.49) STK25MAPK14CNR2JAK3BTK
SCHEMBL11001220 0.78 MAPK14 (0.53) STK25MAPK14CNR2MAPK13KDR
SCHEMBL10983612 0.76 STK25 (0.48) STK25MAPK14CNR2MAPK13
SCHEMBL11032002 0.75 MAPK14 (0.53) STK25MAPK14CNR2JAK3BTK

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-4501606-A Herbicidal 5-t-butyl-3-pyrazalylcarbamates and ureas SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-02-26 US disclosed