SCHEMBL6565608

SCHEMBL6565608

Cc1cc(C(=O)C(C)(C)CC(=O)O)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
F2 P00734 9/20 0.36
F10 P00742 5/20 0.36
PLAU P00749 5/20 0.36
PLAT P00750 5/20 0.36
PLG P00747 4/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
PRSS1 P07477 8/20 0.36
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34

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
SCHEMBL6563693 0.89 F2 (0.40) F2F10PLAUPLATPLG
SCHEMBL6563144 0.89 ITGB3 (0.38) ITGB3ITGA2BF2F10PLAU
SCHEMBL7672248 0.82 F2 (0.40) F2F10PLAUPLATPLG
SCHEMBL6562008 0.82 F2 (0.38) F2F10PLAUPLATPLG
SCHEMBL6561829 0.80 F2 (0.40) ITGB3ITGA2BF2F10PLAU
SCHEMBL6565956 0.79 PLAU (0.49) ITGB3ITGA2BF2F10PLAU
SCHEMBL6564369 0.78 F2 (0.38) F2F10PLAUPLATPLG
SCHEMBL6562043 0.77 PLAU (0.37) F2F10PLAUPLATPLG
SCHEMBL6563662 0.77 F10 (0.41) F2F10PLAUPLATPLG
SCHEMBL6563839 0.77 PLAU (0.39) ITGB3ITGA2BF2F10PLAU

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed