SCHEMBL6900600

SCHEMBL6900600

C=CC(=O)Nc1ccc(SN2CCC(CNC(C)=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.46
F13A1 P00488 11/20 0.46
TGM1 P22735 11/20 0.46
LMNA P02545 1/20 0.38
TGM3 Q08188 1/20 0.38
BRD4 O60885 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1864419 0.80 TGM2 (0.68) TGM2F13A1TGM1
SCHEMBL6901428 0.76 LMNA (0.48) TGM2F13A1TGM1LMNATGM3
SCHEMBL6901071 0.74 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL6899848 0.71 TGM2 (0.62) TGM2F13A1TGM1LMNATGM3
SCHEMBL6902881 0.70 TGM2 (0.69) TGM2F13A1TGM1
SCHEMBL6902507 0.70 TGM2 (0.65) TGM2F13A1TGM1TGM3
SCHEMBL6901614 0.70 TGM2 (0.48) TGM2F13A1TGM1LMNA
SCHEMBL23507518 0.68 ALDH1A1 (0.58) LMNABRD4
SCHEMBL22820605 0.68 TGM2 (0.59) TGM2F13A1TGM1LMNATGM3
SCHEMBL24742677 0.68 TEAD1 (0.47) TGM2LMNA

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