SCHEMBL7303571

SCHEMBL7303571

CCOC(=O)CN(C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.69
F2 P00734 7/20 0.69
KLK1 P06870 4/20 0.69
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSP90AA1 P07900 2/20 0.49
HPGD P15428 1/20 0.49
TMPRSS15 P98073 7/20 0.45
F10 P00742 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ACR P10323 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL3233414 1.00 PRSS1 (0.69) PRSS1F2KLK1KDM4EMAPT
SCHEMBL20008636 0.91 PRSS1 (0.58) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7306272 0.91 PRSS1 (0.68) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7306265 0.91 PRSS1 (0.68) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7623447 0.90 PRSS1 (0.57) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7623450 0.90 PRSS1 (0.57) PRSS1F2KLK1KDM4EMAPT
Hydrochloric Acid SCHEMBL7643206 0.90 PRSS1 (0.56) PRSS1F2KLK1KDM4EMAPT
Hydrochloric Acid SCHEMBL7643202 0.90 PRSS1 (0.56) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3239639 0.86 PRSS1 (0.76) PRSS1F2KLK1KDM4EMAPT
SCHEMBL9077744 0.86 PRSS1 (0.62) PRSS1F2KLK1KDM4EMAPT

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