SCHEMBL6899672

SCHEMBL6899672

C/C=C\C(=O)Nc1ccc(SN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.66
F13A1 P00488 9/20 0.66
TGM1 P22735 6/20 0.53
PARP14 Q460N5 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
MAPT P10636 2/20 0.46
TGM3 Q08188 1/20 0.45
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6902507 0.88 TGM2 (0.65) TGM2F13A1TGM1PTPN2PTPN1
SCHEMBL6902536 0.85 PTPN2 (0.51) TGM2F13A1TGM1PTPN2PTPN1
SCHEMBL1865132 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1865133 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL1873802 0.79 TGM2 (1.00) TGM2F13A1TGM1TGM3
SCHEMBL6900242 0.77 NR1H2 (0.49) TGM2F13A1MAPTALDH1A1MEN1
SCHEMBL6902875 0.73 MAPT (0.67) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL19146303 0.73 ALDH1A1 (0.39) TGM2F13A1TGM1PTPN2PTPN1
SCHEMBL1871099 0.71 TGM2 (0.61) TGM2F13A1TGM1PTPN2PTPN1
SCHEMBL1868946 0.70 TGM2 (1.00) 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