SCHEMBL6512284

SCHEMBL6512284

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.47
IKBKB O14920 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
JAK2 O60674 2/20 0.47
EIF2AK2 P19525 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
JAK3 P52333 1/20 0.46
PTGS1 P23219 4/20 0.46
P2RY14 Q15391 2/20 0.44
KIF11 P52732 1/20 0.44
CDK2AP1 O14519 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK8 P45983 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
SCHEMBL6510003 0.88 P2RX1 (0.52) IKBKBMEN1KMT2AJAK2JAK3
SCHEMBL6509110 0.86 IKBKB (0.63) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6530279 0.85 IKBKB (0.48) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6506347 0.83 IKBKB (0.61) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6511724 0.83 MAPT (0.51) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6505096 0.82 IKBKB (0.47) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6509621 0.82 SMN1; SMN2 (0.65) CHEK1IKBKBMEN1KMT2AMAPT
SCHEMBL4087748 0.80 IKBKB (0.73) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6503091 0.80 IKBKB (0.50) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6507728 0.80 IKBKB (0.50) 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