SCHEMBL6902596

SCHEMBL6902596

C=CC(=O)Nc1ccc(SN2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 0.68
▸ TGM1 P22735 20/20 0.68
▸ F13A1 P00488 19/20 0.68
▸ TGM3 Q08188 1/20 0.61

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
SCHEMBL6901811 0.86 F13A1 (0.72) TGM2TGM1F13A1TGM3
SCHEMBL6901614 0.83 TGM2 (0.48) TGM2TGM1F13A1
SCHEMBL6902881 0.83 TGM2 (0.69) TGM2TGM1F13A1
SCHEMBL6899994 0.83 TGM2 (0.69) TGM2TGM1F13A1TGM3
SCHEMBL1872601 0.81 TGM2 (1.00) TGM2TGM1F13A1TGM3
SCHEMBL6901921 0.81 F13A1 (0.52) TGM2TGM1F13A1TGM3
SCHEMBL14915062 0.80 TGM2 (0.75) TGM2TGM1F13A1TGM3
SCHEMBL6901323 0.79 MEN1 (0.54) —
SCHEMBL28741717 0.79 MEN1 (0.54) —
SCHEMBL6902507 0.79 TGM2 (0.65) TGM2TGM1F13A1TGM3

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
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