SCHEMBL8954990

SCHEMBL8954990

CC(N[C@@H](Cc1cccc(NC(=N)N)c1)C(=O)O)(OC(=O)N1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 14/20 0.46
▸ F10 P00742 8/20 0.46
▸ HPN P05981 2/20 0.46
▸ PLAU P00749 7/20 0.45
▸ F2 P00734 3/20 0.45
▸ ST14 Q9Y5Y6 3/20 0.45
▸ F12 P00748 2/20 0.41
▸ KLKB1 P03952 2/20 0.41
▸ PROC P04070 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
SCHEMBL8954914 0.88 PLG (0.44) PLGF10HPNPLAUF2
SCHEMBL8955632 0.88 PLG (0.44) PLGF10HPNPLAUF2
SCHEMBL7058121 0.73 PLG (0.43) PLGF10HPNPLAUF2
SCHEMBL8954856 0.66 F10 (0.50) PLGF10HPNPLAUF2
N-(Ethoxycarbonyl)Piperazine SCHEMBL7137671 0.66 PLAU (0.65) PLGF10HPNPLAUF2
SCHEMBL8954875 0.65 F10 (0.44) PLGF10PLAUF2ST14
SCHEMBL8955038 0.65 F10 (0.47) PLGF10PLAUF2ST14
SCHEMBL8954624 0.65 F10 (0.41) PLGF10PLAUF2ST14
SCHEMBL9665510 0.64 F10 (0.38) PLGF10HPNPLAUF2
SCHEMBL8954645 0.64 F10 (0.40) PLGF10PLAUF2ST14

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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