SCHEMBL7675063

SCHEMBL7675063

Cc1ccccc1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.48
PLAU P00749 4/20 0.48
PLAT P00750 4/20 0.48
F10 P00742 3/20 0.48
KLK1 P06870 3/20 0.48
KLK5 Q9Y337 3/20 0.48
PLG P00747 2/20 0.48
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
PRSS1 P07477 8/20 0.39
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL6563277 0.89 F2 (0.41) F2PLAUPLATF10KLK1
SCHEMBL6565256 0.89 AKR1C3 (0.44) F2PLAUPLATF10KLK1
SCHEMBL7677481 0.88 F2 (0.47) F2PLAUPLATF10KLK1
SCHEMBL6563625 0.87 PRSS1 (0.43) F2F10MAPK13MAPK12MAPK11
SCHEMBL6563946 0.87 KLK1 (0.42) F2PLAUPLATF10KLK1
SCHEMBL6563651 0.86 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL7670899 0.84 PRSS1 (0.43) F2PLAUPLATF10PLG
SCHEMBL7674188 0.81 EGLN1 (0.44) F2PLAUPLATF10KLK1
SCHEMBL6563461 0.80 PRSS1 (0.49) F2PLAUPLATF10KLK1
SCHEMBL7677130 0.80 PRSS1 (0.41) F2KLK1KLK5PRSS1PRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed