SCHEMBL6901071

SCHEMBL6901071

C=CC(=O)Nc1ccc(SN2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 18/20 0.59
F13A1 P00488 9/20 0.59
TGM1 P22735 9/20 0.59
LMNA P02545 1/20 0.46
TGM3 Q08188 1/20 0.46
POLB P06746 1/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL6901428 0.80 LMNA (0.48) TGM2F13A1TGM1LMNATGM3
SCHEMBL6899848 0.79 TGM2 (0.62) TGM2F13A1TGM1LMNATGM3
SCHEMBL28371959 0.78 TGM2 (0.63) TGM2F13A1TGM1LMNATGM3
SCHEMBL6902507 0.75 TGM2 (0.65) TGM2F13A1TGM1TGM3
SCHEMBL6900600 0.74 TGM2 (0.46) TGM2F13A1TGM1LMNATGM3
SCHEMBL1872179 0.74 F13A1 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL21318121 0.73 TGM2 (0.63) TGM2F13A1TGM1LMNATGM3
SCHEMBL6901614 0.73 TGM2 (0.48) TGM2F13A1TGM1LMNA
SCHEMBL6902596 0.73 TGM2 (0.68) TGM2F13A1TGM1TGM3
SCHEMBL439369 0.73 TGM2 (0.79) TGM2F13A1TGM1LMNATGM3

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