SCHEMBL7305791

SCHEMBL7305791

C#CCN(CC(=O)OCC)C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.76
F2 P00734 7/20 0.76
KLK1 P06870 4/20 0.76
TMPRSS15 P98073 8/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
ACR P10323 1/20 0.38
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F10 P00742 3/20 0.35
SLC22A2 O15244 1/20 0.35
TMPRSS2 O15393 1/20 0.35
PLG P00747 1/20 0.35
F12 P00748 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL3244422 1.00 PRSS1 (0.76) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7315151 0.90 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15
SCHEMBL7315159 0.90 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15
SCHEMBL7304082 0.89 PRSS1 (0.72) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3242330 0.88 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3237750 0.88 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7311244 0.86 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3243922 0.86 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3241435 0.86 PRSS1 (0.83) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3245051 0.86 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US claimed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP claimed
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed