SCHEMBL6561828

SCHEMBL6561828

Cc1ccc(C(=O)N(C)CCc2ccccc2)cc1CCCNc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.44
PRSS1 P07477 8/20 0.43
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 1/20 0.41
F10 P00742 1/20 0.39
MAPK14 Q16539 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL6563814 0.86 PLAU (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6565051 0.83 F10 (0.50) PRSS1F2HDAC1HDAC8HDAC6
SCHEMBL6561959 0.80 MLYCD (0.41) MLYCDPRSS1F2NAMPTF10
SCHEMBL7668378 0.77 PLAU (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563498 0.73 PRSS1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563422 0.72 PRSS1 (0.42) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7674335 0.71 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561871 0.70 KMT2A (0.46) HDAC1HDAC6NAMPTF10
SCHEMBL6563528 0.70 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10412444 0.69 ALOX5 (0.49) MLYCDHDAC1HDAC8HDAC6NAMPT

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