SCHEMBL6563746

SCHEMBL6563746

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)c(C(F)(F)F)cc1NC(=O)N(CC(=O)O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.37
F2 P00734 8/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
PLAU P00749 3/20 0.31
F10 P00742 2/20 0.31
PLG P00747 2/20 0.31
PLAT P00750 2/20 0.31
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31
AR P10275 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 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
SCHEMBL6563598 0.94 F7 (0.38) F7F2ITGB3ITGA2BPLAU
SCHEMBL6563559 0.91 ITGB3 (0.36) F7F2ITGB3ITGA2BPLAU
SCHEMBL4250062 0.90 ITGB3 (0.36) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565306 0.88 F7 (0.39) F7F2ITGB3ITGA2BAR
SCHEMBL7678059 0.88 F7 (0.35) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565445 0.85 ITGB3 (0.36) F7F2ITGB3ITGA2BPLAU
SCHEMBL7674138 0.84 PLAU (0.34) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565929 0.83 F7 (0.39) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565998 0.83 ITGB3 (0.37) F7F2ITGB3ITGA2BPLAU
SCHEMBL6563089 0.82 PLAU (0.33) F7F2ITGB3ITGA2BPLAU

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