SCHEMBL6505296

SCHEMBL6505296

NC(=O)Nc1sc(NC(=O)C2CCC(NC(=O)Cc3ccccc3)CC2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
IKBKB O14920 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
CHEK1 O14757 5/20 0.44
MAPK8 P45983 1/20 0.43
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL6504760 0.90 LMNA (0.52) IKBKBCHEK1MAPK8MAPK1GFER
SCHEMBL6507350 0.83 MAPK1 (0.43) IKBKBJAK2JAK3CHEK1MAPK1
SCHEMBL6507196 0.80 MAPK1 (0.49) IKBKBJAK2JAK3CHEK1MAPK1
SCHEMBL6530224 0.78 MAPK1 (0.49) IKBKBJAK2JAK3CHEK1MAPK1
Hydrochloric Acid SCHEMBL6506232 0.77 MAPK1 (0.48) IKBKBJAK2JAK3CHEK1MAPK1
SCHEMBL6510436 0.77 MAPK1 (0.43) IKBKBJAK2CHEK1MAPK1GFER
SCHEMBL6509035 0.74 MAPK1 (0.48) IKBKBJAK2JAK3CHEK1MAPK1
SCHEMBL6507207 0.73 MAPK1 (0.47) IKBKBJAK2JAK3CHEK1MAPK1
SCHEMBL6503111 0.73 MAPK8 (0.67) IKBKBJAK2JAK3MAPK8MEN1
SCHEMBL6509261 0.73 MAPK1 (0.49) IKBKBJAK2JAK3CHEK1MAPK1

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