SCHEMBL6002856

SCHEMBL6002856

O=C(NC[C@H](C(=O)NCC1CC(Br)=NO1)c1ccc(O)cc1)OCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.57
HDAC1 Q13547 2/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
GFER P55789 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 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
SCHEMBL6004049 0.86 TGM2 (0.64) TGM2
SCHEMBL6002875 0.84 TGM2 (0.59) TGM2
SCHEMBL6004588 0.84 TGM2 (0.59) TGM2
SCHEMBL6002850 0.83 TGM2 (0.59) TGM2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL14070450 0.83 TGM2 (0.82) TGM2
SCHEMBL4918069 0.83 TGM2 (0.82) TGM2
SCHEMBL4918074 0.83 TGM2 (0.82) TGM2
SCHEMBL9825352 0.74 TGM2 (0.68) TGM2LMNASMN1; SMN2ALDH1A1
SCHEMBL1367897 0.74 TGM2 (0.63) TGM2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL13934076 0.73 TGM2 (1.00) TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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