SCHEMBL6448894

SCHEMBL6448894

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(-c2ccccc2OCC(N)=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.57
F2 P00734 12/20 0.43
F7 P08709 4/20 0.43
PRSS1 P07477 3/20 0.43
KLKB1 P03952 3/20 0.41
MASP2 O00187 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
F3 P13726 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
F9 P00740 1/20 0.37
PLAU P00749 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
SCHEMBL6448900 1.00 F10 (0.57) F10F2F7PRSS1KLKB1
Acetic Acid SCHEMBL5037783 0.98 F10 (0.55) F10F2F7PRSS1KLKB1
SCHEMBL5038128 0.94 F10 (0.51) F10F2F7PRSS1KLKB1
SCHEMBL5042348 0.93 F10 (0.52) F10F2F7PRSS1KLKB1
SCHEMBL5042353 0.93 F10 (0.52) F10F2F7PRSS1KLKB1
SCHEMBL5040510 0.93 F10 (0.50) F10F2F7PRSS1KLKB1
SCHEMBL6450171 0.92 F10 (0.49) F10F2F7PRSS1KLKB1
SCHEMBL6450163 0.92 F10 (0.49) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5040507 0.92 F10 (0.51) F10F2F7PRSS1KLKB1
Hydrochloric Acid SCHEMBL5045149 0.92 F10 (0.50) 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