SCHEMBL7671732

SCHEMBL7671732

Cc1cc(N(C(=O)C(N)CC(O)C=O)C(C)C)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HPN P05981 1/20 0.31
KLK1 P06870 1/20 0.30
KLK5 Q9Y337 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL6563578 0.86 ITGB3 (0.37) PLAUITGB3ITGA2BF2
SCHEMBL6563915 0.85 ITGB3 (0.35) PLAUITGB3ITGA2BHPNKLK1
SCHEMBL6565274 0.84 ITGB3 (0.39) PLAUITGB3ITGA2BF2
SCHEMBL6565190 0.83 MRGPRX1 (0.33) PLAUITGB3ITGA2BHPNKLK1
SCHEMBL7672376 0.83 ITGB3 (0.32) PLAUITGB3ITGA2BKLK1KLK5
SCHEMBL6565916 0.83 ITGB3 (0.35) PLAUITGB3ITGA2BHPNKLK1
SCHEMBL6562499 0.82 ITGB3 (0.34) PLAUITGB3ITGA2BHPNKLK1
SCHEMBL6562071 0.82 F10 (0.34) PLAUITGB3ITGA2BHPNKLK1
SCHEMBL6563611 0.82 ITGB3 (0.38) PLAUITGB3ITGA2BF2
SCHEMBL4250003 0.82 ITGB3 (0.37) PLAUITGB3ITGA2BHPNKLK1

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