SCHEMBL17366097

SCHEMBL17366097

N/C(=N\O)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.49
▸ F10 P00742 12/20 0.49
▸ PLG P00747 7/20 0.49
▸ KLKB1 P03952 2/20 0.49
▸ PROC P04070 1/20 0.49
▸ TMPRSS11D O60235 9/20 0.47
▸ NFKB1 P19838 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MASP2 O00187 2/20 0.41
▸ TMPRSS2 O15393 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ F11 P03951 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
SCHEMBL18875317 1.00 F2 (0.49) F2F10PLGKLKB1PROC
SCHEMBL18878673 0.94 F10 (0.50) F2F10PLGKLKB1PROC
SCHEMBL16843096 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366095 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL20117496 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366096 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL18875515 0.88 F2 (0.45) F2F10PLGKLKB1PROC
Acetic Acid SCHEMBL30541187 0.87 F2 (0.55) F2F10PLGKLKB1PROC
SCHEMBL8290835 0.85 F2 (0.59) F2F10PLGKLKB1PROC
SCHEMBL14628111 0.84 F2 (0.48) F2F10PLGKLKB1PROC

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
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