SCHEMBL6509110

SCHEMBL6509110

NC(=O)Nc1sc(NC(=O)c2ccc(F)cc2)cc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
JAK2 O60674 2/20 0.63
EIF2AK2 P19525 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
JAK3 P52333 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 1/20 0.45
HDAC1 Q13547 1/20 0.44
CFTR P13569 2/20 0.44
CHEK1 O14757 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
SCHEMBL6530279 0.88 IKBKB (0.48) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6512284 0.86 CHEK1 (0.47) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6512362 0.85 IKBKB (0.57) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6511724 0.85 MAPT (0.51) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6506347 0.85 IKBKB (0.61) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6505096 0.84 IKBKB (0.47) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6509621 0.84 SMN1; SMN2 (0.65) IKBKBMEN1KMT2ARAB9ANPC1
SCHEMBL6507728 0.82 IKBKB (0.50) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6504891 0.80 IKBKB (0.57) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL6506340 0.79 FLT3 (0.51) IKBKBMEN1KMT2AJAK2EIF2AK2

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