SCHEMBL6900381

SCHEMBL6900381

C=CC(=O)Nc1ccc(S(=O)(=O)NCC2CCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.50
F13A1 P00488 13/20 0.50
TGM1 P22735 13/20 0.50
IKBKB O14920 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
ROCK1 Q13464 1/20 0.45
NAMPT P43490 2/20 0.43
POLB P06746 2/20 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
SCHEMBL14102424 0.76 HTR6 (0.51)
SCHEMBL14375100 0.76 SLC12A2 (0.52)
SCHEMBL14102431 0.76 GBA1 (0.42) IKBKBJAK2ROCK2JAK1TYK2
SCHEMBL1874118 0.76 POLB (0.66) POLB
SCHEMBL4743569 0.76 GBA1 (0.59) POLB
SCHEMBL9568839 0.73 TGM2 (0.65) TGM2F13A1TGM1POLB
SCHEMBL14282764 0.72 KMT2A (0.58) IKBKBJAK2ROCK2JAK1TYK2
SCHEMBL1688072 0.72 LMNA (0.60) TGM2F13A1TGM1NAMPT
SCHEMBL1688071 0.71 TGM2 (0.61) TGM2F13A1TGM1NAMPTPOLB
SCHEMBL1874978 0.70 TGM2 (0.55) TGM2F13A1TGM1NAMPTPOLB

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