SCHEMBL6901428

SCHEMBL6901428

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TGM2 P21980 12/20 0.47
F13A1 P00488 5/20 0.46
TGM1 P22735 5/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TGM3 Q08188 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6901071 0.80 TGM2 (0.59) LMNATGM2F13A1TGM1TGM3
SCHEMBL6899848 0.79 TGM2 (0.62) LMNATGM2F13A1TGM1TGM3
SCHEMBL6902507 0.77 TGM2 (0.65) MAPTTGM2F13A1TGM1TGM3
SCHEMBL6900600 0.76 TGM2 (0.46) LMNATGM2F13A1TGM1THRA
SCHEMBL1867975 0.76 F13A1 (0.72) TGM2F13A1TGM1TGM3
SCHEMBL6902596 0.75 TGM2 (0.68) TGM2F13A1TGM1TGM3
SCHEMBL6901614 0.75 TGM2 (0.48) LMNARAB9AMAPTSMN1; SMN2TGM2
SCHEMBL9559810 0.72 EGFR (0.51) LMNARAB9AMAPTSMN1; SMN2NPC1
SCHEMBL6901811 0.72 F13A1 (0.72) TGM2F13A1TGM1TGM3
SCHEMBL6900590 0.72 TGM2 (0.54) TGM2F13A1TGM1

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