SCHEMBL6511679

SCHEMBL6511679

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.48
JAK2 O60674 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EIF2AK2 P19525 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
JAK3 P52333 1/20 0.47
CHEK1 O14757 4/20 0.45
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6511664 0.75 IKBKB (0.51) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL11921318 0.73 IKBKB (0.59) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6511669 0.72 IKBKB (0.47) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6508907 0.72 IKBKB (0.50) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6509110 0.71 IKBKB (0.63) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6511724 0.71 MAPT (0.51) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6505745 0.71 IKBKB (0.57) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6507152 0.71 IKBKB (0.57) IKBKBJAK2MEN1KMT2AEIF2AK2
SCHEMBL6509621 0.70 SMN1; SMN2 (0.65) IKBKBMEN1KMT2ACHEK1ALDH1A1
SCHEMBL6530279 0.70 IKBKB (0.48) IKBKBJAK2MEN1KMT2AEIF2AK2

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