SCHEMBL6900651

SCHEMBL6900651

C=CC(=O)Nc1ccc(SN2CCN(c3ncnc4sccc34)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
STAT3 P40763 6/20 0.46
NR2F2 P24468 4/20 0.46
HRH1 P35367 1/20 0.46
HTR2C P28335 1/20 0.45
PEAK1 Q9H792 1/20 0.41
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 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
SCHEMBL1874183 0.82 F13A1 (0.59) HTTSMN1; SMN2NPC1GAARAB9A
SCHEMBL28322311 0.70 MEN1 (0.64) MEN1STAT3NR2F2HRH1HTR2C
SCHEMBL6901071 0.69 TGM2 (0.59) LMNAF13A1TGM2TGM1TGM3
SCHEMBL6901428 0.69 LMNA (0.48) HTTSMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL14276917 0.68 HTT (0.63) MEN1STAT3NR2F2HRH1HTR2C
SCHEMBL28322310 0.68 MEN1 (0.64) MEN1STAT3NR2F2HRH1HTR2C
SCHEMBL6899848 0.68 TGM2 (0.62) LMNAF13A1TGM2TGM1TGM3
SCHEMBL12789895 0.67 MEN1 (0.71) MEN1STAT3NR2F2HRH1HTR2C
SCHEMBL6901350 0.67 HTR1A (0.49) HTR2CF13A1TGM2TGM1TGM3
SCHEMBL6901841 0.67 F13A1 (0.59) F13A1TGM2TGM1TGM3KIT

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