SCHEMBL6902507

SCHEMBL6902507

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 16/20 0.65
F13A1 P00488 13/20 0.65
TGM1 P22735 11/20 0.65
TGM3 Q08188 1/20 0.58
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 1/20 0.44

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
SCHEMBL6899672 0.88 TGM2 (0.66) TGM2F13A1TGM1TGM3PTPN2
SCHEMBL6902536 0.86 PTPN2 (0.51) TGM2F13A1TGM1PTPN2PTPN1
SCHEMBL1871099 0.83 TGM2 (0.61) TGM2F13A1TGM1TGM3PTPN2
SCHEMBL6902596 0.79 TGM2 (0.68) TGM2F13A1TGM1TGM3
SCHEMBL6899848 0.79 TGM2 (0.62) TGM2F13A1TGM1TGM3
SCHEMBL1869819 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL6900242 0.78 NR1H2 (0.49) TGM2F13A1MAPT
SCHEMBL6901428 0.77 LMNA (0.48) TGM2F13A1TGM1TGM3MAPT
SCHEMBL6901811 0.76 F13A1 (0.72) TGM2F13A1TGM1TGM3
SCHEMBL6901071 0.75 TGM2 (0.59) TGM2F13A1TGM1TGM3

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