SCHEMBL6023748

SCHEMBL6023748

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(Cn2nc(C)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
BMP1 P13497 7/20 0.40
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
MMP12 P39900 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6024626 0.82 BMP1 (0.47) GAARAB9ABMP1KDM4EHTT
SCHEMBL6023388 0.77 BMP1 (0.44) BMP1MMP12
SCHEMBL6024200 0.75 CYP3A4 (0.41) BMP1KDM4EHTTSMN1; SMN2
SCHEMBL6024770 0.75 BMP1 (0.44) BMP1MMP12
SCHEMBL6024907 0.73 HDAC3 (0.39) BMP1MMP12
SCHEMBL6025328 0.72 HPGD (0.42) GAARAB9ABMP1KDM4ELMNA
SCHEMBL6023729 0.72 BMP1 (0.44) RAB9ABMP1MMP12
SCHEMBL6024590 0.71 CTSB (0.37) GAABMP1MMP12SMN1; SMN2
SCHEMBL6024630 0.71 BMP1 (0.44) BMP1MMP12
SCHEMBL6024774 0.70 BMP1 (0.41) BMP1MMP12

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-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO disclosed