SCHEMBL6137727

SCHEMBL6137727

COC(=O)c1c(Cl)ccc(N)c1N.COC(=O)c1c(Cl)ccc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.34
KDM4E B2RXH2 4/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
NR4A2 P43354 1/20 0.33
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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
SCHEMBL6137875 0.90 MKNK1 (0.39) KDM4EABL1POLBMKNK1NR4A2
SCHEMBL30582332 0.81 ABL1 (0.46) KDM4EPKMRCE1ABL1POLB
SCHEMBL6137831 0.81 ABL1 (0.46) KDM4EPKMRCE1ABL1POLB
SCHEMBL6137724 0.81 POLB (0.36) NQO2KDM4EABL1POLBNR4A2
SCHEMBL13601850 0.78 NQO2 (0.39) NQO2KDM4EPKMRCE1ABL1
SCHEMBL6137710 0.72 DPP4 (0.44) KDM4EPOLBTDP1SMN1; SMN2LMNA
SCHEMBL30279379 0.69 ABL1 (0.46) NQO2KDM4EPKMRCE1ABL1
SCHEMBL8295820 0.69 ABL1 (0.46) NQO2KDM4EPKMRCE1ABL1
SCHEMBL31455565 0.68 PRKCI (0.44) KDM4EABL1KMT2ATDP1SMN1; SMN2
SCHEMBL6137870 0.68 NR4A2 (0.40) POLBNR4A2SMN1; SMN2LMNAGAA

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