SCHEMBL6899994

SCHEMBL6899994

C=CC(=O)Nc1ccc(SNC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 19/20 0.69
F13A1 P00488 17/20 0.69
TGM1 P22735 17/20 0.69
TGM3 Q08188 1/20 0.54
TGM6 O95932 1/20 0.50
ENPP2 Q13822 1/20 0.49

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
SCHEMBL6901702 0.84 SMN1; SMN2 (0.58) TGM2F13A1TGM1ENPP2
SCHEMBL6902596 0.83 TGM2 (0.68) TGM2F13A1TGM1TGM3
SCHEMBL1869913 0.82 TGM2 (1.00) TGM2F13A1TGM1TGM3TGM6
SCHEMBL6901635 0.79 SMN1; SMN2 (0.52) TGM2F13A1TGM1ENPP2
SCHEMBL6902881 0.79 TGM2 (0.69) TGM2F13A1TGM1TGM6
SCHEMBL1876047 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1868875 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3TGM6
SCHEMBL1868878 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3TGM6
SCHEMBL1869832 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3TGM6
SCHEMBL14916351 0.76 TGM2 (0.74) TGM2F13A1TGM1TGM3TGM6

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
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed