SCHEMBL635785

SCHEMBL635785

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 11/20 0.53
F2 P00734 9/20 0.53
F10 P00742 8/20 0.53
PLG P00747 7/20 0.53
KLKB1 P03952 2/20 0.46
F11 P03951 1/20 0.46
TMPRSS2 O15393 2/20 0.46
PROC P04070 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
PRSS1 P07477 1/20 0.41
TMPRSS15 P98073 1/20 0.41
TMPRSS6 Q8IU80 2/20 0.41

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
SCHEMBL3752985 0.92 TMPRSS11D (0.51) TMPRSS11DF2F10PLGKLKB1
SCHEMBL2167189 0.92 TMPRSS11D (0.50) TMPRSS11DF2F10PLGKLKB1
SCHEMBL2167674 0.91 TMPRSS11D (0.53) TMPRSS11DF2F10PLGKLKB1
SCHEMBL12847292 0.88 F2 (0.58) TMPRSS11DF2F10PLGKLKB1
SCHEMBL2167336 0.87 TMPRSS11D (0.51) TMPRSS11DF2F10PLGKLKB1
Hydrochloric Acid SCHEMBL6853389 0.86 TMPRSS11D (0.50) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL5493824 0.83 PLG (0.44) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL12514178 0.82 F2 (0.56) TMPRSS11DF2F10PLGKLKB1
Hydrochloric Acid SCHEMBL309506 0.82 PLG (0.43) TMPRSS11DF2F10PLGTMPRSS2
SCHEMBL17366096 0.81 F2 (0.57) TMPRSS11DF2F10PLGKLKB1

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-2420255-A2 Polypeptide inhibitors of urokinase type plasminogen activator Ecole Polytechnique Federale De Lausanne (EPFL) (CH) 2012-02-22 EP disclosed