SCHEMBL7038734

SCHEMBL7038734

Cc1c(C)c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)NCc2ccc(CN(C)Cc3ccccc3)cc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.47
PLAU P00749 2/20 0.47
F10 P00742 1/20 0.47
KLKB1 P03952 1/20 0.47
F2 P00734 8/20 0.38
ST14 Q9Y5Y6 1/20 0.38
AVPR1B P47901 5/20 0.35
TMPRSS6 Q8IU80 6/20 0.35
BMP1 P13497 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8526287 0.90 PLG (0.48) PLGPLAUF10KLKB1F2
SCHEMBL7038739 0.90 PLG (0.43) PLGPLAUF10KLKB1F2
SCHEMBL7043617 0.89 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL8529439 0.82 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL1740223 0.82 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL7020069 0.81 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL7045236 0.80 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL8526793 0.80 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL8526353 0.78 PLG (0.43) PLGPLAUF10KLKB1F2
SCHEMBL8526347 0.78 PLG (0.40) PLGPLAUF10KLKB1F2

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
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed