SCHEMBL7046161

SCHEMBL7046161

CC(=O)c1cc(NC(=O)c2cncc(C(N)=O)c2)cc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.50
SIRT1 Q96EB6 10/20 0.50
SIRT3 Q9NTG7 10/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
EPHB2 P29323 1/20 0.42
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4477190 0.81 MKNK1 (0.66) SIRT2SIRT1SIRT3MKNK1MKNK2
SCHEMBL6151471 0.79 L3MBTL1 (0.60) ALDH1A1ROCK2ROCK1MEN1KMT2A
SCHEMBL6085720 0.77 SIRT2 (0.53) SIRT2SIRT1SIRT3MKNK1MKNK2
SCHEMBL4267075 0.76 MKNK1 (0.49) SIRT2SIRT1SIRT3MKNK1MKNK2
SCHEMBL2841794 0.75 SIRT2 (0.54) SIRT2SIRT1SIRT3MKNK1MKNK2
SCHEMBL29324585 0.74 SIRT2 (0.48) SIRT2SIRT1SIRT3MKNK1MKNK2
SCHEMBL7047330 0.74 FURIN (0.46) ALDH1A1ROCK2GAAROCK1MEN1
SCHEMBL8447783 0.73 KMT2A (0.64) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL5973949 0.73 L3MBTL1 (0.70) ALDH1A1ROCK2ROCK1MEN1KMT2A
SCHEMBL30239217 0.73 KDM4E (0.70) SIRT2SIRT1SIRT3MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003006426-A1 AROMATIC GUANYLHYDRAZONES AS EFFECTIVE COMPOUNDS AGAINST NEURODISEASES AXXIMA PHARMACEUTICALS AG (DE) 2003-01-23 WO claimed
WO-2003006426-A1 AROMATIC GUANYLHYDRAZONES AS EFFECTIVE COMPOUNDS AGAINST NEURODISEASES AXXIMA PHARMACEUTICALS AG (DE) 2003-01-23 WO disclosed