SCHEMBL6901711

SCHEMBL6901711

C=CC(=O)Nc1ccc(SN2CCN(C(=O)CCc3cccnc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.53
TGM2 P21980 1/20 0.53
TGM1 P22735 1/20 0.53
C3AR1 Q16581 13/20 0.44
NAMPT P43490 2/20 0.40

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
SCHEMBL1868312 0.82 F13A1 (0.79) F13A1TGM2TGM1NAMPT
SCHEMBL6902596 0.74 TGM2 (0.68) F13A1TGM2TGM1
SCHEMBL6901614 0.74 TGM2 (0.48) F13A1TGM2TGM1
SCHEMBL6900590 0.73 TGM2 (0.54) F13A1TGM2TGM1
SCHEMBL4378680 0.73 NPC1 (0.62) C3AR1
SCHEMBL10305181 0.72 NPC1 (0.67) C3AR1
SCHEMBL6899848 0.72 TGM2 (0.62) F13A1TGM2TGM1
SCHEMBL1312749 0.71 CHRM1 (0.57) C3AR1NAMPT
SCHEMBL20353683 0.71 C3AR1 (0.55) C3AR1
SCHEMBL6901428 0.70 LMNA (0.48) F13A1TGM2TGM1

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