SCHEMBL8111444

SCHEMBL8111444

N=C(N)c1cccc(C(=O)C[C@]([C]=O)(c2ccccc2)N(C(=O)CN)c2ccc3ccccc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.39
F2 P00734 12/20 0.36
PLG P00747 3/20 0.36
PRSS1 P07477 3/20 0.36
KLKB1 P03952 2/20 0.36
KLK1 P06870 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 9/20 0.35
F7 P08709 3/20 0.35
TMPRSS6 Q8IU80 1/20 0.34
PLAT P00750 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL1624373 0.85 PLAU (0.40) PLAUF2PLGPRSS1KLKB1
SCHEMBL1624025 0.78 F10 (0.39) PLAUF2PLGPRSS1KLKB1
SCHEMBL1624418 0.73 F10 (0.38) PLAUF2PLGPRSS1KLKB1
SCHEMBL1624971 0.67 F2 (0.37) PLAUF2PLGPRSS1KLKB1
SCHEMBL1623823 0.67 PLAU (0.45) PLAUF2PLGPRSS1KLKB1
SCHEMBL8118334 0.67 PRSS1 (0.40) PLAUF2PRSS1F10PRSS2
SCHEMBL1624029 0.64 F10 (0.39) PLAUF2PLGPRSS1KLKB1
SCHEMBL8127509 0.62 PRSS1 (0.41) PLAUF2PRSS1F10TMPRSS6
SCHEMBL8120426 0.61 ADRA2C (0.35) PLAUF2PLGPRSS1F10
SCHEMBL8125654 0.61 ADRA2C (0.35) PLAUF2PLGPRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO disclosed