SCHEMBL27744339

SCHEMBL27744339

CCOC(=O)C(C#N)C(C#N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MMP8 P22894 1/20 0.48
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46
PIN1 Q13526 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11134231 0.92 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL11145918 0.89 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL10930033 0.86 ESR1 (0.54) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL490341 0.86 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL2566030 0.84 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL22262872 0.84 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL19388060 0.83 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL12506132 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MMP8GAAMEN1
SCHEMBL11416246 0.81 MEN1 (0.49) SMN1; SMN2L3MBTL1GAAMEN1KMT2A
SCHEMBL9685959 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1MMP8GAAMEN1

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
CN-101317571-A Application of 5-amido-3-cyanogen--1-(2,6-dichlorine-4-trifluoromethyl phenyl)-4-phenyl pyrazole as insecticide WUHAN INST TECHNOLOGY (CN) 2008-12-10 CN disclosed