SCHEMBL6565690

SCHEMBL6565690

Cc1cc(C(=O)N(C)c2ccccc2)ccc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.54
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
F2 P00734 8/20 0.41
HTT P42858 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ITK Q08881 1/20 0.37
KLKB1 P03952 1/20 0.37
F10 P00742 2/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
SLC22A2 O15244 1/20 0.37
PROC P04070 1/20 0.37
HPN P05981 1/20 0.37

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
SCHEMBL6563250 0.92 PLAU (0.54) PLAUITGB3ITGA2BF2HTT
SCHEMBL6565956 0.90 PLAU (0.49) PLAUITGB3ITGA2BF2HTT
SCHEMBL7678092 0.85 F2 (0.40) PLAUF2RAB9AF10PLG
SCHEMBL6565392 0.85 PLAU (0.44) PLAUITGB3ITGA2BF2HTT
SCHEMBL6561886 0.84 PLAU (0.53) PLAUITGB3ITGA2BF2HTT
SCHEMBL6563229 0.82 PLAU (0.37) PLAUHTTSIRT2NPC1PKM
SCHEMBL6565486 0.82 PLAU (0.41) PLAUITGB3ITGA2BF2HTT
SCHEMBL7809949 0.80 SLC6A3 (0.42) PLAUF2HTTSIRT2NPC1
SCHEMBL6561871 0.79 KMT2A (0.46) HTTSIRT2KMT2AF10
SCHEMBL7672248 0.79 F2 (0.40) PLAUF2F10PLGPLAT

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