SCHEMBL6561878

SCHEMBL6561878

CC(C)C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.43
F2 P00734 4/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
TMPRSS6 Q8IU80 3/20 0.42
ST14 Q9Y5Y6 3/20 0.42
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
F10 P00742 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL6563777 0.84 GSK3B (0.45)
SCHEMBL6563461 0.82 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563625 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563743 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7670899 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7674188 0.81 EGLN1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7677130 0.80 PRSS1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561829 0.79 F2 (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6565941 0.78 F10 (0.47) PRSS1F10ITGB3ITGA2B
SCHEMBL6563675 0.78 F10 (0.47) PRSS1F10ITGB3ITGA2B

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