Sugi Predict

Sugi Predict / Compounds / SCHEMBL17366106

SCHEMBL17366106

SCHEMBL17366106

N=C(N)c1ccc(CNC(=O)C(CCc2ccccc2)NC(=O)C(COCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.62
▸ TMPRSS6 Q8IU80 6/20 0.62
▸ F10 P00742 8/20 0.54
▸ PLG P00747 8/20 0.54
▸ KLKB1 P03952 2/20 0.54
▸ PROC P04070 1/20 0.54
▸ MASP2 O00187 1/20 0.49
▸ TMPRSS11D O60235 11/20 0.49
▸ F11 P03951 1/20 0.47
▸ TMPRSS2 O15393 2/20 0.46

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
SCHEMBL17381506 1.00 F2 (0.62) F2TMPRSS6F10PLGKLKB1
SCHEMBL17366095 0.89 F2 (0.57) F2TMPRSS6F10PLGKLKB1
SCHEMBL20117496 0.89 F2 (0.57) F2TMPRSS6F10PLGKLKB1
SCHEMBL16843096 0.89 F2 (0.57) F2TMPRSS6F10PLGKLKB1
SCHEMBL17366096 0.89 F2 (0.57) F2TMPRSS6F10PLGKLKB1
SCHEMBL17381408 0.88 F2 (0.53) F2TMPRSS6F10PLGKLKB1
SCHEMBL15180597 0.88 F2 (0.54) F2TMPRSS6F10PLGKLKB1
SCHEMBL17381507 0.87 F2 (0.48) F2TMPRSS6F10PLGKLKB1
SCHEMBL20560497 0.87 F2 (0.58) F2TMPRSS6F10PLGKLKB1
SCHEMBL1328107 0.87 F2 (0.58) F2TMPRSS6F10PLGKLKB1

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-2960232-A1 Process for the production of a dipeptide derivative DSM IP Assets B.V. (NL) 2015-12-30 — — EP disclosed
Send feedback