SCHEMBL6901921

SCHEMBL6901921

C=CC(=O)Nc1ccc(SN2CCN(C(=O)OCc3cccc(OC)c3OC)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 19/20 0.52
▸ TGM2 P21980 19/20 0.52
▸ TGM1 P22735 19/20 0.52
▸ TGM3 Q08188 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
SCHEMBL1870168 0.84 F13A1 (0.75) F13A1TGM2TGM1TGM3
SCHEMBL6901811 0.83 F13A1 (0.72) F13A1TGM2TGM1TGM3
SCHEMBL6902596 0.81 TGM2 (0.68) F13A1TGM2TGM1TGM3
SCHEMBL6902507 0.75 TGM2 (0.65) F13A1TGM2TGM1TGM3
SCHEMBL11889747 0.72 NPC1 (0.52) —
SCHEMBL6901428 0.71 LMNA (0.48) F13A1TGM2TGM1TGM3
SCHEMBL6899848 0.70 TGM2 (0.62) F13A1TGM2TGM1TGM3
SCHEMBL7596038 0.69 ABCB1 (0.46) —
SCHEMBL6901614 0.69 TGM2 (0.48) F13A1TGM2TGM1
SCHEMBL1873828 0.69 F13A1 (1.00) F13A1TGM2TGM1TGM3

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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