SCHEMBL6137710

SCHEMBL6137710

O=C(O)c1c(Cl)ccc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
DYRK1A Q13627 1/20 0.37
PARP1 P09874 3/20 0.37
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TTR P02766 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALK Q9UM73 1/20 0.35
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL6137875 0.81 MKNK1 (0.39) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL10713223 0.81 KDM4E (0.37) ALDH1A1KDM4EHSD17B10KDM5AKDM4C
SCHEMBL30798651 0.79 PARP1 (0.37) ALDH1A1KDM4EHSD17B10KDM5APARP1
SCHEMBL18226070 0.79 PARP1 (0.37) ALDH1A1KDM4EHSD17B10KDM5APARP1
SCHEMBL4535251 0.74 CSNK2A1 (0.39) DPP4ALDH1A1KDM4EDYRK1APARP1
SCHEMBL29805281 0.74 CSNK2A1 (0.39) DPP4ALDH1A1KDM4EDYRK1APARP1
SCHEMBL6137727 0.72 NQO2 (0.34) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL6137705 0.72 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10KDM5A
SCHEMBL30028461 0.72 KDM4E (0.47) ALDH1A1KDM4EKDM5AKDM4CPARP1
SCHEMBL7348969 0.71 PARP1 (0.37) ALDH1A1KDM4EHSD17B10DYRK1APARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515956-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM (US) 2005-08-10 EP disclosed
EP-1515956-A1 PEPTIDE DEFORMYLASE INHIBITORS Smithkline Beecham (US) 2005-03-23 EP disclosed
WO-2003104209-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed