SCHEMBL6563588

SCHEMBL6563588

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N(C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.41
F10 P00742 8/20 0.41
PLAU P00749 6/20 0.41
PLAT P00750 6/20 0.41
PLG P00747 5/20 0.41
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
PRSS1 P07477 8/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36

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
SCHEMBL6565349 0.87 F2 (0.38) F2F10PLAUPLATPLG
SCHEMBL6565505 0.85 MTOR (0.36) F2F10PLAUPLATPLG
SCHEMBL6564290 0.84 ACACB (0.39) F2F10PLAUPLATPLG
SCHEMBL6563059 0.82 NQO2 (0.41) F2F10PLAUPLATPLG
SCHEMBL6563526 0.82 PTPN11 (0.38)
SCHEMBL6563277 0.82 F2 (0.41) F2F10PLAUPLATPLG
SCHEMBL7675036 0.82 F10 (0.42) F2F10PLAUPLATPLG
SCHEMBL6563743 0.79 PRSS1 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6561958 0.79 ACACB (0.49) F2F10PLAUPLATPLG
SCHEMBL6564514 0.78 NQO2 (0.40) F2F10PLAUPLATPLG

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