Sugi Predict

Sugi Predict / Compounds / SCHEMBL8019344

SCHEMBL8019344

SCHEMBL8019344

CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@]1(CC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ F2 P00734 10/20 0.42
▸ TMPRSS6 Q8IU80 4/20 0.42
▸ PROC P04070 1/20 0.42
▸ TMPRSS11D O60235 8/20 0.40
▸ PLG P00747 3/20 0.40
▸ F10 P00742 2/20 0.40
▸ TMPRSS2 O15393 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
SCHEMBL7362868 0.97 F2 (0.41) ITGB3ITGA2BF2TMPRSS6PROC
SCHEMBL7364257 0.97 F2 (0.41) ITGB3ITGA2BF2TMPRSS6PROC
SCHEMBL7355230 0.88 F2 (0.44) F2TMPRSS6PROCTMPRSS11DF10
SCHEMBL7362891 0.88 F2 (0.44) F2TMPRSS6PROCTMPRSS11DF10
SCHEMBL8023156 0.87 F2 (0.48) F2TMPRSS6PROCTMPRSS11DPLG
SCHEMBL7362804 0.87 F2 (0.44) F2TMPRSS6PROCTMPRSS11D
SCHEMBL7356268 0.83 HPN (0.59) F2PROCPLGF10
SCHEMBL8781243 0.79 F2 (0.40) F2TMPRSS6PROCPLGF10
SCHEMBL7365085 0.78 TMPRSS11D (0.64) F2TMPRSS11DPLGF10
SCHEMBL8770719 0.76 TMPRSS11D (0.62) F2TMPRSS11DPLGF10

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-0796271-B1 DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AG (DE) 2000-02-02 — — EP disclosed