SCHEMBL5141369

SCHEMBL5141369

O=C(CCNC(=O)OCc1ccccc1)NC[C@@H]1CC(Br)=NO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.60
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
GAA P10253 1/20 0.43
ITGA2B P08514 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL5141370 1.00 TGM2 (0.60) TGM2MEN1KMT2AHTTLMNA
SCHEMBL9825352 0.90 TGM2 (0.68) TGM2HTTLMNASMN1; SMN2
SCHEMBL4598758 0.89 TGM2 (0.62) TGM2HTTLMNASMN1; SMN2
SCHEMBL1091729 0.83 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL1091730 0.83 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL9825176 0.83 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL1091728 0.83 TGM2 (0.65) TGM2ITGB3ITGAVITGA2B
SCHEMBL1092077 0.80 TGM2 (0.67) TGM2ITGB3ITGAVITGA2B
SCHEMBL1092076 0.80 TGM2 (0.67) TGM2ITGB3ITGAVITGA2B
SCHEMBL6004049 0.80 TGM2 (0.64) TGM2ITGB3ITGAVITGA2B

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
EP-1931205-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-18 EP disclosed
WO-2007025247-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-03-01 WO disclosed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP disclosed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO disclosed