SCHEMBL6510833

SCHEMBL6510833

N#Cc1cccc(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.53
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
GRM5 P41594 1/20 0.46
MEN1 O00255 1/20 0.45
EIF2AK2 P19525 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CHEK1 O14757 1/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL6505096 0.87 IKBKB (0.47) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6512362 0.83 IKBKB (0.57) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6506340 0.82 FLT3 (0.51) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6514964 0.81 CHEK1 (0.57) IKBKBMEN1KMT2ATDP1CHEK1
SCHEMBL6530168 0.81 IKBKB (0.62) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6998767 0.81 KDM4E (0.59) IKBKBGRM5MEN1KMT2AMAPK8
SCHEMBL6510003 0.80 P2RX1 (0.52) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6507704 0.80 CHEK1 (0.49) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6510633 0.79 MEN1 (0.48) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL7055075 0.77 IKBKB (0.71) 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