SCHEMBL6901678

SCHEMBL6901678

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N(C)C(=O)C34CCCC5CC(CC3C5)C4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 19/20 0.54
TGM2 P21980 19/20 0.54
TGM1 P22735 19/20 0.54
TGM6 O95932 1/20 0.54
GFER P55789 1/20 0.43

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
SCHEMBL1868569 0.85 F13A1 (0.67) F13A1TGM2TGM1TGM6
SCHEMBL1868938 0.79 F13A1 (0.66) F13A1TGM2TGM1TGM6GFER
SCHEMBL1864181 0.74 GFER (0.67) F13A1TGM2TGM1TGM6GFER
SCHEMBL1870053 0.73 TGM2 (0.66) F13A1TGM2TGM1GFER
SCHEMBL14915863 0.72 F13A1 (0.74) F13A1TGM2TGM1TGM6
SCHEMBL1873625 0.72 TGM2 (0.70) F13A1TGM2TGM1TGM6
SCHEMBL1872968 0.71 F13A1 (0.66) F13A1TGM2TGM1TGM6GFER
SCHEMBL1871105 0.70 F13A1 (1.00) F13A1TGM2TGM1TGM6
SCHEMBL1871534 0.70 F13A1 (0.72) F13A1TGM2TGM1TGM6
SCHEMBL1870961 0.69 F13A1 (0.70) F13A1TGM2TGM1TGM6

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