SCHEMBL7313541

SCHEMBL7313541

CCOC(=O)C(C)=CN(CC(=O)OCc1ccccc1)C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.60
F2 P00734 6/20 0.60
KLK1 P06870 4/20 0.60
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 2/20 0.47
HPGD P15428 1/20 0.47
TMPRSS15 P98073 8/20 0.43
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
F10 P00742 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 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
SCHEMBL7301048 0.93 PRSS1 (0.69) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7312732 0.88 PRSS1 (0.59) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7312697 0.87 PRSS1 (0.69) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7313912 0.86 PRSS1 (0.61) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7313214 0.83 PRSS1 (0.59) PRSS1F2KLK1MAPTKDM4E
SCHEMBL3242306 0.82 PRSS1 (0.75) PRSS1F2KLK1MAPTKDM4E
Hydrochloric Acid SCHEMBL7312895 0.82 PRSS1 (0.73) PRSS1F2KLK1MAPTKDM4E
Hydrochloric Acid SCHEMBL7312900 0.82 PRSS1 (0.73) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7313716 0.82 PRSS1 (0.64) PRSS1F2KLK1MAPTKDM4E
SCHEMBL7313722 0.82 PRSS1 (0.64) PRSS1F2KLK1MAPTKDM4E

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
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0543263-A2 Benziimidazoles, pharmaceuticals containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-05-26 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed