SCHEMBL16239647

SCHEMBL16239647

CC1(C)CC(c2ccccc2NS(C)(=O)=O)Nc2c(C#N)cccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.37
NR3C1 P04150 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KEAP1 Q14145 1/20 0.33
CSNK2A2 P19784 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MARK3 P27448 1/20 0.32
MARK4 Q96L34 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
SCHEMBL16239675 0.89 HTR6 (0.35) SLC22A12SLC40A1
SCHEMBL16239521 0.85 KEAP1 (0.42) PLA2G7NR3C1ADRA2AADRA1AL3MBTL1
SCHEMBL16239732 0.84 KDM4E (0.36) PLA2G7NR3C1ADRA2AADRA1AL3MBTL1
SCHEMBL16239481 0.81 BRD4 (0.36) CSNK2A2
SCHEMBL2135919 0.78 PARP14 (0.38) NR3C1SLC22A12
SCHEMBL16239957 0.74 MCOLN2 (0.39) KEAP1SLC40A1
SCHEMBL16239989 0.73 IMPDH2 (0.40) PLA2G7L3MBTL1KEAP1
SCHEMBL2135562 0.73 KDM4E (0.34) NR3C1ADRA2AKEAP1
SCHEMBL16240077 0.73 TSHR (0.38) SLC40A1
SCHEMBL2134874 0.72 HTT (0.37) NR3C1ADRA2ATRPV1

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
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed