SCHEMBL5059526

SCHEMBL5059526

CC(=O)N(O)CCCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.54
NOS1 P29475 6/20 0.54
NOS3 P29474 5/20 0.54
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GSR P00390 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.46
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44

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
SCHEMBL5520220 1.00 NOS2 (0.54) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL3117359 1.00 NOS2 (0.54) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL1331744 0.94 GSR (0.52) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL1331746 0.94 GSR (0.52) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL28469394 0.82 NOS2 (0.56) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL10707233 0.82 NOS2 (0.39) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL9713674 0.81 NOS1 (0.51) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL9713664 0.81 NOS1 (0.51) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL9713668 0.81 NOS1 (0.51) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL7220293 0.80 NOS2 (0.54) NOS2NOS1NOS3MEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080152641-A1 Inhibitors of Siderophore Biosynthesis in Fungi AUTRIA WIRTSCHAFTSSERVICE 2008-06-26 US disclosed
EP-1766076-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS Perkinelmer Las, Inc. (US) 2007-03-28 EP disclosed
WO-2005123954-A2 METHODS FOR TARGET MOLECULE DETECTION USING SIDEROPHORES AND RELATED COMPOSITIONS PERKINELMER LAS, INC. (US) 2005-12-29 WO disclosed
EP-0253245-B1 BIOLOGICALLY ACTIVE PEPTIDES TAN-866 Takeda Chemical Industries, Ltd. (JP) 1992-10-14 EP disclosed