SCHEMBL6508700

SCHEMBL6508700

NC(=O)Nc1sc(NC(=O)c2cc(F)cc(F)c2F)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.50
JAK2 O60674 2/20 0.50
MEN1 O00255 1/20 0.50
EIF2AK2 P19525 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
JAK3 P52333 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CHEK1 O14757 6/20 0.39

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 0.80 IKBKB (0.57) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6509110 0.78 IKBKB (0.63) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6512362 0.75 IKBKB (0.57) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6506008 0.74 IKBKB (0.56) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6508194 0.74 IKBKB (0.46) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6507070 0.74 IKBKB (0.46) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6511664 0.73 IKBKB (0.51) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL477698 0.73 CES2 (0.68) CES2CES1
SCHEMBL6530279 0.72 IKBKB (0.48) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL6507659 0.72 IKBKB (0.53) 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