SCHEMBL11032002

SCHEMBL11032002

CC(C)(C)c1cc(NC(=O)O)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
STK25 O00506 4/20 0.52
CNR2 P34972 1/20 0.45
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CCNA1 P78396 3/20 0.44
BRAF P15056 2/20 0.42
MAPK13 O15264 1/20 0.41
CSNK1A1 P48729 1/20 0.40
JAK3 P52333 2/20 0.39
BTK Q06187 2/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL11001220 0.86 MAPK14 (0.53) MAPK14STK25CNR2BRAFMAPK13
SCHEMBL10978951 0.84 MAPK14 (0.52) MAPK14STK25CNR2CCNA2CDK2
SCHEMBL11002553 0.84 MAPK14 (0.52) MAPK14STK25CNR2BRAFMAPK13
SCHEMBL10985695 0.83 STK25 (0.52) MAPK14STK25CNR2BRAFMAPK13
SCHEMBL11002888 0.81 STK25 (0.54) MAPK14STK25CNR2CCNA2CDK2
SCHEMBL10979715 0.81 MAPK14 (0.50) MAPK14STK25CNR2BRAFMAPK13
SCHEMBL11002244 0.81 MAPK14 (0.53) MAPK14STK25CNR2BRAFMAPK13
SCHEMBL11004998 0.81 MAPK14 (0.53) MAPK14STK25CNR2CCNA2CDK2
SCHEMBL10929033 0.81 MAPK14 (0.47) MAPK14STK25CNR2JAK3BTK
SCHEMBL10929026 0.81 MAPK14 (0.47) MAPK14STK25CNR2JAK3BTK

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-4545809-A Herbicidal N-(5-t-butyl-3-pyrazolyl) carbamates SDS BIOTECH K.K. (JP) 1985-10-08 US disclosed
US-4501606-A Herbicidal 5-t-butyl-3-pyrazalylcarbamates and ureas SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-02-26 US disclosed
US-4501606-A Herbicidal 5-t-butyl-3-pyrazalylcarbamates and ureas SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-02-26 US disclosed