SCHEMBL8954673

SCHEMBL8954673

N=C(N)c1cccc(C[C@](N)(C(=O)N(CC(=O)O)C(=O)CCCN)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.43
▸ F2 P00734 6/20 0.43
▸ PLG P00747 10/20 0.43
▸ PLAU P00749 4/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ PRSS1 P07477 2/20 0.41
▸ PROC P04070 2/20 0.39
▸ F12 P00748 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ HPN P05981 1/20 0.38

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
SCHEMBL8954670 0.78 PLG (0.59) F10F2PLGPLAUST14
SCHEMBL8954844 0.77 F10 (0.50) F10F2PLGPLAUST14
SCHEMBL8954760 0.77 F10 (0.48) F10F2PLGPLAUST14
SCHEMBL8954943 0.76 F10 (0.49) F10F2PLGPLAUST14
SCHEMBL8954736 0.75 F10 (0.40) F10F2PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL8954790 0.74 F10 (0.40) F10F2PLGPLAUPRSS1
Bicarbonate SCHEMBL9665131 0.72 F10 (0.57) F10F2PLGPLAUPRSS1
Bicarbonate SCHEMBL9666014 0.70 F10 (0.49) F10F2PLGPLAUST14
SCHEMBL8954951 0.70 PLG (0.51) F10F2PLGPLAUST14
SCHEMBL8954860 0.70 F10 (0.41) F10F2PLGPLAUPRSS1

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
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