SCHEMBL6504891

SCHEMBL6504891

NC(=O)Nc1sc(NC(=O)c2ccccc2F)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.57
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
EIF2AK2 P19525 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CHEK1 O14757 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL6506008 0.85 IKBKB (0.56) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6507659 0.83 IKBKB (0.53) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6503091 0.83 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6508136 0.83 IKBKB (0.60) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6505282 0.82 MAPT (0.55) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL16263740 0.81 ALDH1A1 (0.54) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL19494363 0.81 NPC1 (0.52) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6508700 0.80 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL6509110 0.80 IKBKB (0.63) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL19494877 0.79 NPC1 (0.50) IKBKBMEN1KMT2ATDP1NPC1

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