SCHEMBL6507350

SCHEMBL6507350

CC(C)(C)CC(=O)NC1CCC(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
IKBKB O14920 5/20 0.39
CHEK1 O14757 6/20 0.38
MAPK10 P53779 1/20 0.38
ALOX15 P16050 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
JAK2 O60674 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EIF2AK2 P19525 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6510436 0.84 MAPK1 (0.43) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6505296 0.83 EPHX2 (0.44) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6509035 0.82 MAPK1 (0.48) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6504760 0.81 LMNA (0.52) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6530224 0.79 MAPK1 (0.49) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6507196 0.79 MAPK1 (0.49) MAPK1GFERIKBKBCHEK1MAPK10
Hydrochloric Acid SCHEMBL6506232 0.78 MAPK1 (0.48) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6509261 0.76 MAPK1 (0.49) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6507091 0.74 CHEK1 (0.47) MAPK1GFERIKBKBCHEK1MAPK10
SCHEMBL6507207 0.74 MAPK1 (0.47) MAPK1GFERIKBKBCHEK1MAPK10

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