SCHEMBL6507196

SCHEMBL6507196

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
IKBKB O14920 8/20 0.48
MAPK10 P53779 2/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 1/20 0.46
MEN1 O00255 1/20 0.44
EIF2AK2 P19525 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTT P42858 1/20 0.41
CHEK1 O14757 5/20 0.41
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
FLT3 P36888 1/20 0.38

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
SCHEMBL6530224 0.90 MAPK1 (0.49) MAPK1GFERIKBKBMAPK10JAK2
Hydrochloric Acid SCHEMBL6506232 0.88 MAPK1 (0.48) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6509035 0.85 MAPK1 (0.48) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6507207 0.84 MAPK1 (0.47) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6509261 0.84 MAPK1 (0.49) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6505296 0.80 EPHX2 (0.44) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6507091 0.80 CHEK1 (0.47) MAPK1GFERIKBKBMAPK10MEN1
SCHEMBL6530184 0.79 CHEK1 (0.48) MAPK1GFERIKBKBCHEK1
SCHEMBL6507350 0.79 MAPK1 (0.43) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6510436 0.79 MAPK1 (0.43) MAPK1GFERIKBKBMAPK10JAK2

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