SCHEMBL6507659

SCHEMBL6507659

NC(=O)Nc1sc(NC(=O)c2cccc3ccccc23)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.53
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EIF2AK2 P19525 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CHEK1 O14757 1/20 0.46
CNR1 P21554 1/20 0.46
DEGS1 O15121 1/20 0.46
CNR2 P34972 1/20 0.46
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 2/20 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
SCHEMBL6504891 0.83 IKBKB (0.57) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6506008 0.82 IKBKB (0.56) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL19206637 0.81 PARP1 (0.56) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6506959 0.80 KDM4E (0.47) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6503091 0.80 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6508136 0.80 IKBKB (0.60) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6507728 0.80 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6505282 0.79 MAPT (0.55) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6510323 0.79 HDAC1 (0.52) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL1681706 0.77 IKBKB (0.67) 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