SCHEMBL6504760

SCHEMBL6504760

NC(=O)Nc1sc(NC(=O)C2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.46
CHEK1 O14757 6/20 0.46
MAPK8 P45983 1/20 0.45
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
GRM7 Q14831 1/20 0.40
CDK2AP1 O14519 1/20 0.40
ACKR3 P25106 1/20 0.40
IKBKB O14920 3/20 0.39
MAPK10 P53779 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6505296 0.90 EPHX2 (0.44) CHEK1MAPK8SIGMAR1MAPK1GFER
SCHEMBL6507350 0.81 MAPK1 (0.43) POLBCHEK1MAPK1GFERIKBKB
SCHEMBL6507196 0.77 MAPK1 (0.49) CHEK1MAPK1GFERIKBKBMAPK10
SCHEMBL6530224 0.77 MAPK1 (0.49) CHEK1MAPK1GFERIKBKBMAPK10
Hydrochloric Acid SCHEMBL6506232 0.76 MAPK1 (0.48) CHEK1MAPK1GFERIKBKBMAPK10
SCHEMBL6510436 0.75 MAPK1 (0.43) POLBCHEK1MAPK1GFERIKBKB
SCHEMBL6509035 0.73 MAPK1 (0.48) POLBCHEK1MAPK1GFERIKBKB
SCHEMBL6510565 0.73 MAPK8 (0.65) MAPK8IKBKB
SCHEMBL6507207 0.72 MAPK1 (0.47) POLBCHEK1MAPK1GFERIKBKB
SCHEMBL6509261 0.71 MAPK1 (0.49) CHEK1MAPK1GFERIKBKBMAPK10

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