SCHEMBL27701908

SCHEMBL27701908

CCc1cccc2nc(CO)c(NCC(=O)NO)n12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
HDAC1 Q13547 1/20 0.32
PDE5A O76074 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
MEP1B Q16820 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL27701833 0.93 HDAC1 (0.35) GRIN1GRIN2AHDAC1PDE5AGAA
SCHEMBL27701827 0.87 HDAC1 (0.41) HDAC1
SCHEMBL27701635 0.87 HDAC1 (0.33) GRIN1GRIN2AHDAC1
SCHEMBL27701766 0.85 GRIN1 (0.34) GRIN1GRIN2AHDAC1PDE5AGAA
SCHEMBL27722222 0.85 ALDH1A1 (0.39) GAARAB9AALDH1A1HTT
SCHEMBL27701899 0.84 GPR139 (0.33) NPC1GAARAB9AGFERMEP1B
SCHEMBL27701632 0.83 HDAC1 (0.35) HDAC1PDE5A
SCHEMBL27701782 0.83 NRP1 (0.32) MEP1B
SCHEMBL27701657 0.82 HDAC1 (0.36) GRIN1GRIN2AHDAC1
SCHEMBL27701686 0.81 HDAC1 (0.35) GRIN1GRIN2AHDAC1NPC1GAA

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