SCHEMBL27722191

SCHEMBL27722191

CC(C)(C)c1nc2c(N)cccn2c1NCC(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
HDAC1 Q13547 14/20 0.34
GPR139 Q6DWJ6 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27722329 0.87 KDM4E (0.38) HDAC1ALDH1A1GAAKDM4EMEN1
SCHEMBL27722215 0.81 PABPC1 (0.34) HDAC1ALDH1A1GAAKDM4EMEN1
SCHEMBL27722258 0.80 HDAC1 (0.33) HDAC1
SCHEMBL28772943 0.79 ATP4A (0.50) HDAC6MEN1KMT2A
SCHEMBL27722200 0.79 HDAC1 (0.41) TSPOHDAC1GPR139
SCHEMBL27701758 0.77 PLAU (0.40) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL27722214 0.75 HDAC1 (0.39) HDAC1GAA
SCHEMBL27722221 0.73 HDAC1 (0.35) HDAC1
SCHEMBL27722223 0.71 GAA (0.49) HDAC1ALDH1A1GAAKDM4EMEN1
SCHEMBL27701769 0.71 KDM4E (0.41) HDAC1ALDH1A1GAAKDM4E

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
CN-101163703-B Imidazo [1,2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG 2010-12-15 CN disclosed
CN-101163703-A Imidazo [1, 2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG (CH) 2008-04-16 CN disclosed