SCHEMBL27701734

SCHEMBL27701734

Cc1cccn2c(NCC(=O)NO)c(CO)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL27722220 0.86 KDM4E (0.39) ALDH1A1MAPTGAAPOLBMEN1
SCHEMBL27701722 0.86 HDAC1 (0.41) SMN1; SMN2ALDH1A1MAPTGAAPOLB
SCHEMBL27701698 0.86 HDAC8 (0.45) HDAC8ALDH1A1MAPTPOLBMEN1
SCHEMBL27701655 0.78 GAA (0.41) SMN1; SMN2HDAC8ALDH1A1MAPTGAA
SCHEMBL27701636 0.78 ALOX5 (0.44) HDAC8ALDH1A1GAAMEN1KMT2A
SCHEMBL27701811 0.77 GAA (0.40) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL27701696 0.74 HDAC1 (0.41) ALDH1A1MAPTGAALMNAKDM4E
SCHEMBL27722212 0.73 PLAU (0.39) HDAC8ALDH1A1MAPTGAAPOLB
SCHEMBL27722333 0.72 PKM (0.33) HDAC8ALDH1A1HTT
SCHEMBL27722222 0.72 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTGAAPOLB

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