SCHEMBL27701646

SCHEMBL27701646

Nc1cccc2nc(Cc3ccccc3)c(NCC(=O)NO)n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.39
HDAC6 Q9UBN7 6/20 0.38
HDAC8 Q9BY41 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MEP1B Q16820 1/20 0.36
LTB4R Q15722 2/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MMP9 P14780 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 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
SCHEMBL27722270 0.87 HDAC6 (0.39) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL27701823 0.86 HDAC6 (0.38) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL28768873 0.86 HDAC6 (0.38) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL27722216 0.81 HDAC1 (0.41) HDAC1
SCHEMBL27701659 0.80 HDAC6 (0.37) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL27701807 0.79 PLAU (0.44) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL28772858 0.78 HDAC8 (0.37) HDAC6HDAC8MEN1KMT2AMMP1
SCHEMBL27722221 0.77 HDAC1 (0.35) HDAC1
SCHEMBL27701758 0.74 PLAU (0.40) PLAUHDAC6HDAC8MEN1KMT2A
SCHEMBL27701642 0.73 CHRNA7 (0.32) HDAC6HDAC8MEN1KMT2AHDAC1

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