SCHEMBL6503091

SCHEMBL6503091

NC(=O)Nc1sc(NC(=O)c2ccccc2C(F)(F)F)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.50
JAK2 O60674 2/20 0.50
PTGS1 P23219 1/20 0.50
JAK3 P52333 1/20 0.50
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
CHEK1 O14757 2/20 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
PTPRC P08575 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.44
F2R P25116 1/20 0.43

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) IKBKBJAK2JAK3LMNACHEK1
SCHEMBL6506008 0.82 IKBKB (0.56) IKBKBJAK2JAK3KCNK3KCNK9
SCHEMBL6507659 0.80 IKBKB (0.53) IKBKBJAK2JAK3GAACHEK1
SCHEMBL6508136 0.80 IKBKB (0.60) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6512284 0.80 CHEK1 (0.47) IKBKBJAK2PTGS1JAK3LMNA
SCHEMBL6505282 0.79 MAPT (0.55) IKBKBJAK2JAK3GAAKCNK3
SCHEMBL6510003 0.78 P2RX1 (0.52) IKBKBJAK2PTGS1JAK3LMNA
SCHEMBL6510323 0.77 HDAC1 (0.52) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL6506347 0.76 IKBKB (0.61) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6507728 0.75 IKBKB (0.50) IKBKBJAK2JAK3GAAMEN1

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