SCHEMBL6506340

SCHEMBL6506340

NC(=O)Nc1sc(NC(=O)c2cccc(Cl)c2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.51
IKBKB O14920 8/20 0.50
JAK2 O60674 2/20 0.50
JAK3 P52333 1/20 0.50
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
PARP1 P09874 1/20 0.48
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6512362 0.86 IKBKB (0.57) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6530279 0.86 IKBKB (0.48) FLT3IKBKBJAK2JAK3MEN1
SCHEMBL6510633 0.84 MEN1 (0.48) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6530168 0.84 IKBKB (0.62) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6507704 0.83 CHEK1 (0.49) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6510003 0.83 P2RX1 (0.52) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6514964 0.82 CHEK1 (0.57) FLT3IKBKBMEN1KMT2ATDP1
SCHEMBL6510833 0.82 IKBKB (0.53) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6510565 0.81 MAPK8 (0.65) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6507728 0.80 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A

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