SCHEMBL4403971

SCHEMBL4403971

CN(C)C(=O)c1ccc(NC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPY2R P49146 1/20 0.38
FLT3 P36888 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1162081 0.83 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL4401957 0.82 CA12 (0.47) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL14960465 0.82 HPGD (0.43) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL4402097 0.81 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL4399509 0.81 NPC1 (0.54) ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL9086106 0.79 GAA (0.44) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL22755094 0.79 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL1205198 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL12995665 0.77 PSMB8 (0.46)
SCHEMBL23049302 0.76 HTR7 (0.48) ALDH1A1HPGDSMN1; SMN2HTTKMT2A

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
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed