SCHEMBL6902030

SCHEMBL6902030

C=C(OC(C)(C)C)N1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/C)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 19/20 0.81
F13A1 P00488 16/20 0.81
TGM1 P22735 13/20 0.67
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
TGM3 Q08188 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
SCHEMBL1865132 0.89 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1865133 0.89 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1873802 0.89 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1873253 0.80 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1868947 0.80 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1868946 0.80 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1869819 0.80 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1873653 0.74 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL29060781 0.74 TGM2 (0.76) TGM2F13A1TGM1ALDH1A1
SCHEMBL1867574 0.72 F13A1 (1.00) TGM2F13A1TGM1

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