SCHEMBL27701696

SCHEMBL27701696

CCCCc1nc2c(O)cccn2c1NCC(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38
MAPT P10636 1/20 0.35

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
SCHEMBL27701722 0.89 HDAC1 (0.41) HDAC1KDM4EALDH1A1GAAMAPT
SCHEMBL27701655 0.89 GAA (0.41) HDAC1KDM4EALDH1A1LMNAGLA
SCHEMBL27722200 0.88 HDAC1 (0.41) HDAC1
SCHEMBL27722220 0.85 KDM4E (0.39) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL27701658 0.81 ATP4A (0.48)
SCHEMBL27722212 0.81 PLAU (0.39) HDAC1KDM4EALDH1A1LMNAGLA
SCHEMBL27722329 0.78 KDM4E (0.38) HDAC1KDM4EALDH1A1LMNAGLA
SCHEMBL27701912 0.75 HDAC1 (0.49) HDAC1
SCHEMBL27701734 0.74 SMN1; SMN2 (0.41) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL27701644 0.74 HDAC1 (0.57) HDAC1KDM4EALDH1A1

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