SCHEMBL6002850

SCHEMBL6002850

O=C(NC[C@H](C(=O)NCC1CC(Br)=NO1)c1ccc(F)cc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.59
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.41
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39

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 0.94 TGM2 (0.64) TGM2CYP1A2ITGB3ITGAV
SCHEMBL6002875 0.85 TGM2 (0.59) TGM2CYP1A2ITGB3
SCHEMBL6002856 0.83 TGM2 (0.57) TGM2LMNASMN1; SMN2ALDH1A1USP2
SCHEMBL6004588 0.83 TGM2 (0.59) TGM2CYP1A2
SCHEMBL9825352 0.82 TGM2 (0.68) TGM2LMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14070443 0.82 TGM2 (0.86) TGM2
SCHEMBL4925942 0.82 TGM2 (0.86) TGM2
SCHEMBL4925938 0.82 TGM2 (0.86) TGM2
SCHEMBL1367897 0.81 TGM2 (0.63) TGM2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1103747 0.78 TGM2 (0.72) TGM2CYP1A2

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