SCHEMBL5495060

SCHEMBL5495060

N=C(N)Nc1ccc(CNC(=O)C(CCc2ccccc2)NC(=O)C(CO)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.48
F10 P00742 10/20 0.48
PLG P00747 4/20 0.47
KLKB1 P03952 2/20 0.47
PROC P04070 1/20 0.47
TMPRSS11D O60235 4/20 0.45
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
PSMB5 P28074 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
F7 P08709 1/20 0.42
MASP2 O00187 1/20 0.41
F11 P03951 1/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39

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
SCHEMBL14628111 1.00 F2 (0.48) F2F10PLGKLKB1PROC
Hydrochloric Acid SCHEMBL307828 0.99 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL17366096 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL20117496 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL16843096 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL17366095 0.89 F2 (0.57) F2F10PLGKLKB1PROC
SCHEMBL12514665 0.87 F2 (0.46) F2F10PLGTMPRSS11DPLAU
Acetic Acid SCHEMBL30541187 0.87 F2 (0.55) F2F10PLGKLKB1PROC
Hydrochloric Acid SCHEMBL6923723 0.86 F2 (0.41) F2F10PLGKLKB1PROC
SCHEMBL8290835 0.85 F2 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP claimed
EP-1453852-A2 SELECTIVE UROKINASE INHIBITORS Wilex AG (DE) 2004-09-08 EP claimed
WO-2003053999-A2 SELECTIVE ARYLGUANIDINE PEPTIDES AS UROKINASE INHIBITORS WILEX AG (DE) 2003-07-03 WO claimed
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP disclosed
EP-1453852-A2 SELECTIVE UROKINASE INHIBITORS Wilex AG (DE) 2004-09-08 EP disclosed
WO-2003053999-A2 SELECTIVE ARYLGUANIDINE PEPTIDES AS UROKINASE INHIBITORS WILEX AG (DE) 2003-07-03 WO disclosed