SCHEMBL6137724

SCHEMBL6137724

COC(=O)c1c(Cl)ccc(N)c1N.COC(=O)c1c(Cl)ccc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR4A2 P43354 3/20 0.34
ALOX5 P09917 1/20 0.34
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.33
NOTUM Q6P988 1/20 0.33
NQO2 P16083 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
LMNA P02545 1/20 0.33
ACLY P53396 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
SCHEMBL6137870 0.90 NR4A2 (0.40) POLBPARP1NR4A2ALOX5GAA
SCHEMBL6137831 0.81 ABL1 (0.46) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL30582332 0.81 ABL1 (0.46) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL6137727 0.81 NQO2 (0.34) POLBALDH1A1KDM4EMEN1HPGD
SCHEMBL21986865 0.74 LMNA (0.40) POLBPARP1ALDH1A1MEN1HPGD
SCHEMBL1081543 0.73 LMNA (0.39) POLBPARP1ALDH1A1KDM4EMEN1
SCHEMBL1080724 0.73 QPCT (0.44) POLBPARP1ALDH1A1KDM4EMEN1
SCHEMBL24754415 0.73 SMN1; SMN2 (0.39) PARP1KDM4EMEN1KMT2AACLY
SCHEMBL6137705 0.72 DPP4 (0.48) POLBPARP1ALDH1A1KDM4EMEN1
SCHEMBL1081831 0.71 ALDH1A1 (0.40) POLBPARP1ALDH1A1KDM4EMEN1

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