SCHEMBL6532445

SCHEMBL6532445

NC(=O)Nc1sc(C(N)=O)cc1C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 1/20 0.44
CHEK1 O14757 11/20 0.43
MAP4K4 O95819 1/20 0.43
MEN1 O00255 1/20 0.42
EIF2AK2 P19525 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6529486 0.93 CHEK1 (0.46) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL6507152 0.86 IKBKB (0.57) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6505865 0.76 IKBKB (0.58) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL6507636 0.73 IKBKB (0.51) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6505484 0.72 CHEK1 (0.55) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL491042 0.70 IKBKB (0.55) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL5207334 0.69 IKBKB (0.54) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL13667938 0.69 CHEK1 (0.59) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL6505745 0.68 IKBKB (0.57) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL14204814 0.67 IKBKB (0.55) IKBKBJAK2JAK3CHEK1MEN1

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