SCHEMBL6511664

SCHEMBL6511664

NCCC(=O)Nc1cc(C(N)=O)c(NC(N)=O)s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.51
JAK2 O60674 2/20 0.51
JAK3 P52333 1/20 0.51
MEN1 O00255 1/20 0.49
EIF2AK2 P19525 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CHEK1 O14757 5/20 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
SCHEMBL6504891 0.77 IKBKB (0.57) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6503111 0.76 MAPK8 (0.67) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6510565 0.75 MAPK8 (0.65) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6511679 0.75 IKBKB (0.48) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6508700 0.73 IKBKB (0.50) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6506008 0.73 IKBKB (0.56) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6509110 0.72 IKBKB (0.63) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6512362 0.72 IKBKB (0.57) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6506347 0.72 IKBKB (0.61) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6505745 0.72 IKBKB (0.57) IKBKBJAK2JAK3MEN1EIF2AK2

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed