SCHEMBL8954806

SCHEMBL8954806

N=C(N)c1cccc(C[C@](N)(C(=O)NCC2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.52
▸ F2 P00734 6/20 0.47
▸ PLG P00747 6/20 0.46
▸ PROC P04070 1/20 0.46
▸ ST14 Q9Y5Y6 5/20 0.45
▸ PLAU P00749 5/20 0.45
▸ HPN P05981 1/20 0.44
▸ HGFAC Q04756 1/20 0.44
▸ PRSS1 P07477 1/20 0.43

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
Bicarbonate SCHEMBL9666014 0.92 F10 (0.49) F10F2PLGPROCST14
SCHEMBL8954844 0.81 F10 (0.50) F10F2PLGPROCST14
SCHEMBL8954943 0.79 F10 (0.49) F10F2PLGPROCST14
SCHEMBL8954706 0.76 F10 (0.52) F10F2PLGPROCST14
SCHEMBL9710628 0.76 F10 (0.53) F10F2PLGST14PLAU
SCHEMBL8954951 0.75 PLG (0.51) F10F2PLGPROCST14
Hydrochloric Acid SCHEMBL8954922 0.75 F10 (0.51) F10F2PLGPROCST14
SCHEMBL8954760 0.75 F10 (0.48) F10F2PLGPROCST14
Bicarbonate SCHEMBL9665131 0.74 F10 (0.57) F10F2PLGPLAUPRSS1
SCHEMBL8954783 0.74 F10 (0.49) F10F2PLGPROCST14

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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