SCHEMBL6450134

SCHEMBL6450134

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(-c2cccc(OCC(N)=O)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.54
F2 P00734 13/20 0.41
F7 P08709 4/20 0.40
PRSS1 P07477 2/20 0.40
KLKB1 P03952 3/20 0.38
F3 P13726 2/20 0.38
MASP2 O00187 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
ADRA1B P35368 1/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL6450145 1.00 F10 (0.54) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5045259 0.99 F10 (0.55) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5045242 0.99 F10 (0.55) F10F2F7PRSS1KLKB1
SCHEMBL5045548 0.94 F10 (0.48) F10F2F7PRSS1KLKB1
SCHEMBL5040733 0.93 F10 (0.47) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5040724 0.92 F10 (0.48) F10F2F7PRSS1KLKB1
SCHEMBL6450419 0.92 F10 (0.47) F10F2F7PRSS1KLKB1
SCHEMBL6450416 0.92 F10 (0.47) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5045230 0.91 F10 (0.48) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5045238 0.91 F10 (0.48) F10F2F7PRSS1KLKB1

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-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed