SCHEMBL6563814

SCHEMBL6563814

Cc1ccc(C(=O)N(C)c2ccccc2)cc1CCCNc1ccc(C(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.54
PRSS1 P07477 8/20 0.46
F2 P00734 5/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TMPRSS6 Q8IU80 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
F10 P00742 1/20 0.41
HTT P42858 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL7668378 0.90 PLAU (0.49) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL6561828 0.86 MLYCD (0.44) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL6565051 0.81 F10 (0.50) PRSS1F2F10
SCHEMBL6563250 0.78 PLAU (0.54) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL6563422 0.76 PRSS1 (0.42) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL6565690 0.76 PLAU (0.54) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL7672235 0.74 PLAU (0.49) PLAUF2F10ITGB3ITGA2B
SCHEMBL6563528 0.73 PRSS1 (0.51) PLAUPRSS1F2PRSS2PRSS3
SCHEMBL6771396 0.72 PLAU (0.49) PLAUF2F10HTTITGB3
SCHEMBL6565956 0.72 PLAU (0.49) PLAUF2F10HTTITGB3

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