SCHEMBL2635341

SCHEMBL2635341

CC(C)(C)OC(=O)NCCNC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA12 O43570 6/20 0.39
CA9 Q16790 6/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ATM Q13315 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
ACE P12821 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL2635343 1.00 MEN1 (0.59) MEN1KMT2AGAAMAOAMAOB
SCHEMBL7364210 0.87 MEN1 (0.55) MEN1KMT2AGAAMAOAMAOB
SCHEMBL2367531 0.87 MEN1 (0.55) MEN1KMT2AGAAMAOAMAOB
SCHEMBL1486276 0.87 MEN1 (0.55) MEN1KMT2AGAAMAOAMAOB
SCHEMBL31325605 0.86 MEN1 (0.65) MEN1KMT2AGAAMAOAMAOB
Water SCHEMBL10332189 0.86 MEN1 (0.54) MEN1KMT2AGAAMAOAMAOB
Hydrochloric Acid SCHEMBL8630295 0.86 MEN1 (0.54) MEN1KMT2AGAAMAOAMAOB
Hydrochloric Acid SCHEMBL7264801 0.86 MEN1 (0.54) MEN1KMT2AGAAMAOAMAOB
Hydrochloric Acid SCHEMBL10444447 0.86 MEN1 (0.54) MEN1KMT2AGAAMAOAMAOB
Water SCHEMBL10332190 0.86 MEN1 (0.54) MEN1KMT2AGAAMAOAMAOB

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
WO-2011143540-A1 UNIFORM, FUNCTIONALIZED, CROSS-LINKED NANOSTRUCTURES FOR MONITORING pH MALLINCKRODT LLC (US) 2011-11-17 WO disclosed
EP-2217281-A2 PHOTONIC SHELL-CORE CROSS LINKED AND FUNCTIONALIZED NANOSTRUCTURES FOR BIOLOGICAL APPLICATIONS Mallinckrodt Inc. (US) 2010-08-18 EP disclosed
WO-2009061473-A2 PHOTONIC SHELL-CORE CROSS LINKED AND FUNCTIONALIZED NANOSTRUCTURES FOR BIOLOGICAL APPLICATIONS MALLINCKRODT INC. (US) 2009-05-14 WO disclosed