SCHEMBL7446462

SCHEMBL7446462

COC(=O)N(OC(=O)C(F)(F)F)c1cc(OC)cc2ccc(C(=N)N)cc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 15/20 0.44
PLG P00747 3/20 0.44
F12 P00748 2/20 0.36
PRSS1 P07477 4/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
F2 P00734 2/20 0.34
PLAT P00750 2/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
KCNJ11 Q14654 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7446455 0.72 PLAU (0.61) PLAUPLGPRSS1F2PLAT
SCHEMBL7343086 0.71 PLAU (0.42) PLAUPLGF12PRSS1PRSS2
SCHEMBL7335963 0.71 PLAU (0.50) PLAUPLGF12PRSS1F2
SCHEMBL7335251 0.69 PLAU (0.42) PLAUPLGPRSS1F2PLAT
Trifluoroacetic Acid SCHEMBL7343080 0.69 PLAU (0.57) PLAUPLGF12PRSS1F2
SCHEMBL7345497 0.67 PLAU (0.45) PLAUPLGPRSS1F2PLAT
Trifluoroacetic Acid SCHEMBL7336439 0.67 PLAU (0.45) PLAUPRSS1PRSS2PRSS3F2
SCHEMBL7334796 0.66 PLAU (0.54) PLAUPLGPRSS1F2PLAT
SCHEMBL7341502 0.66 PLAU (0.58) PLAUPLGPRSS1F2PLAT
SCHEMBL7334927 0.66 PLAU (0.54) PLAUPLGPRSS1F2PLAT

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-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed