SCHEMBL6565289

SCHEMBL6565289

CCOC(=O)CCN(C(=O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
F2 P00734 12/20 0.34
F10 P00742 6/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 2/20 0.31
PLG P00747 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
F7 P08709 1/20 0.31

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
SCHEMBL6563269 0.91 F2 (0.38) NQO2ITGB3ITGA2BF2F10
SCHEMBL6563301 0.79 NQO2 (0.43) NQO2ITGB3ITGA2BF2
SCHEMBL6563662 0.77 F10 (0.41) F2F10PRSS1PLGPRSS2
SCHEMBL6564369 0.77 F2 (0.38) F2F10LMNAPRSS1PLG
SCHEMBL7672248 0.77 F2 (0.40) F2F10PRSS1PLGPRSS2
SCHEMBL6561682 0.76 NQO2 (0.39) NQO2ITGB3ITGA2BF2F10
SCHEMBL6562361 0.76 F2 (0.40) NQO2ITGB3ITGA2BF2F10
SCHEMBL6563285 0.76 ITGB3 (0.39) NQO2ITGB3ITGA2BF2F10
SCHEMBL6563144 0.75 ITGB3 (0.38) NQO2ITGB3ITGA2BF2F10
SCHEMBL6562008 0.75 F2 (0.38) F2F10PRSS1PLGPRSS2

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