SCHEMBL6503111

SCHEMBL6503111

NC(=O)Nc1sc(NC(=O)Cc2cccc(F)c2)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.67
IKBKB O14920 4/20 0.55
JAK2 O60674 2/20 0.53
MEN1 O00255 1/20 0.53
EIF2AK2 P19525 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GLS O94925 2/20 0.49
JAK3 P52333 1/20 0.49
NR3C2 P08235 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6510565 0.87 MAPK8 (0.65) MAPK8IKBKBJAK2MEN1EIF2AK2
SCHEMBL7671566 0.82 MAPK8 (0.66) MAPK8IKBKBJAK2MEN1EIF2AK2
SCHEMBL6512362 0.80 IKBKB (0.57) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6511664 0.76 IKBKB (0.51) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL3607430 0.76 CHEK1 (0.69) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7055474 0.74 IKBKB (0.78) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6510633 0.74 MEN1 (0.48) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6505296 0.73 EPHX2 (0.44) MAPK8IKBKBJAK2MEN1KMT2A
SCHEMBL6509110 0.73 IKBKB (0.63) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6504891 0.72 IKBKB (0.57) IKBKBJAK2MEN1EIF2AK2KMT2A

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