Meglumine

Meglumine

SCHEMBL2853649

CC(=O)N(Cc1ccc(C#Cc2ccc(Cl)cc2)cc1)c1ccc(O)c(C(=O)O)c1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1TTRgyrAgyrBparCparE

The experimentally established mechanism targets of Meglumine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 13/20 0.45
PTPN11 Q06124 1/20 0.42
PTPRO Q16827 1/20 0.42
PTGES O14684 1/20 0.35
ACACB O00763 1/20 0.35
HNF4A P41235 1/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Meglumine SCHEMBL4461973 0.89 CNR2 (0.45) STAT3PTPN11PTPRO
Meglumine SCHEMBL4454874 0.89 STAT3 (0.46) STAT3PTPN11PTPROPTGESLTB4R2
Meglumine SCHEMBL4452475 0.88 STAT3 (0.57) STAT3
Meglumine SCHEMBL4458998 0.87 STAT3 (0.47) STAT3PTPN11PTPROPTGESLTB4R2
SCHEMBL2855112 0.85 STAT3 (0.57) STAT3PTPN11PTPROHNF4ALTB4R2
Meglumine SCHEMBL1813196 0.78 PTPN11 (0.75) STAT3PTPN11PTPROLTB4R2
SCHEMBL13711792 0.76 STAT3 (0.67) STAT3LTB4R2
Meglumine SCHEMBL1814503 0.76 PTPN11 (0.62) STAT3PTPN11PTPROPTGES
Meglumine SCHEMBL4456885 0.74 PTPN11 (0.44) STAT3PTPN11PTPROLTB4R2
SCHEMBL2856083 0.73 STAT3 (0.71) STAT3PTPN11PTPRO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed