SCHEMBL7312034

SCHEMBL7312034

CCOC(=O)CN(C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.71
F2 P00734 7/20 0.71
KLK1 P06870 4/20 0.71
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
TMPRSS15 P98073 8/20 0.42
ACR P10323 1/20 0.40
F10 P00742 2/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL3236334 1.00 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3241766 0.97 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237729 0.96 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3241353 0.89 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15
SCHEMBL3239639 0.88 PRSS1 (0.76) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237141 0.85 PRSS1 (0.67) PRSS1F2KLK1TMPRSS15
SCHEMBL3237750 0.85 PRSS1 (0.80) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3242330 0.85 PRSS1 (0.80) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7304838 0.85 PRSS1 (0.66) PRSS1F2KLK1TMPRSS15
SCHEMBL3245126 0.85 PRSS1 (0.66) PRSS1F2KLK1TMPRSS15

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-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