SCHEMBL12486756

SCHEMBL12486756

O=CN(C[C@@H](CC1CCCC1)C(=O)N1N=CC[C@H]1C(=O)Nc1cccc[n+]1[O-])OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
PDF Q9HBH1 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
SCHEMBL12486665 0.86
SCHEMBL12487102 0.85 ATM (0.37) F2
SCHEMBL12487780 0.82 PDF (0.46) F2PDF
SCHEMBL12230378 0.77 PDF (0.43) PDF
SCHEMBL12488015 0.74 PDF (0.38) F2PDF
SCHEMBL12487920 0.74 NPSR1 (0.33)
SCHEMBL12487648 0.72 PDF (0.36) F2PDF
SCHEMBL2541207 0.72 ATM (0.43)
SCHEMBL1190550 0.72 ATM (0.43)
SCHEMBL13904442 0.72 RAB9A (0.35)

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
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed