SCHEMBL6901614

SCHEMBL6901614

C=CC(=O)Nc1ccc(SN2CCN(C(=O)NCc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.48
KDM4E B2RXH2 1/20 0.48
F13A1 P00488 5/20 0.48
TGM1 P22735 5/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH3 Q9Y5N1 1/20 0.46
GLA P06280 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL6902596 0.83 TGM2 (0.68) TGM2F13A1TGM1
SCHEMBL6901658 0.81 KDM4E (0.55) KDM4EMEN1KMT2AHRH3TPSAB1
SCHEMBL1871008 0.80 TGM2 (0.71) TGM2F13A1TGM1KMT2A
SCHEMBL6901826 0.77 KDM4E (0.51) KDM4EMEN1KMT2AHRH3TPSAB1
SCHEMBL6899848 0.76 TGM2 (0.62) TGM2F13A1TGM1LMNA
SCHEMBL6900590 0.76 TGM2 (0.54) TGM2F13A1TGM1KMT2A
SCHEMBL6901428 0.75 LMNA (0.48) TGM2F13A1TGM1TP53NPC1
SCHEMBL6901711 0.74 F13A1 (0.53) TGM2F13A1TGM1
SCHEMBL6901811 0.73 F13A1 (0.72) TGM2F13A1TGM1
SCHEMBL11775423 0.73 TGM2 (0.71) TGM2F13A1TGM1MEN1KMT2A

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