SCHEMBL8954873

SCHEMBL8954873

N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)O)C3CCCCC32)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.80
PLG P00747 6/20 0.68
PLAU P00749 4/20 0.68
ST14 Q9Y5Y6 3/20 0.67
HPN P05981 1/20 0.67
HGFAC Q04756 1/20 0.67
F2 P00734 2/20 0.65

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
Iodide SCHEMBL8954861 0.99 F10 (0.78) F10PLGPLAUST14HPN
SCHEMBL8954781 0.90 F10 (0.64) F10PLGPLAUST14HPN
SCHEMBL8954813 0.89 F10 (0.63) F10PLGPLAUST14HPN
Iodide SCHEMBL8955094 0.88 F10 (0.61) F10PLGPLAUST14HPN
SCHEMBL30583119 0.86 F10 (0.76) F10PLGPLAUST14HPN
SCHEMBL8954680 0.86 F10 (0.58) F10PLGPLAUST14HPN
SCHEMBL8954768 0.86 F10 (0.75) F10PLGPLAUST14HPN
SCHEMBL8954681 0.86 F10 (0.75) F10PLGPLAUST14HPN
SCHEMBL8954726 0.86 F10 (0.75) F10PLGPLAUST14HPN
SCHEMBL8954695 0.86 F10 (0.75) F10PLGPLAUST14HPN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 WO disclosed