SCHEMBL5043530

SCHEMBL5043530

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(-c2cnc(N)nc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
F2 P00734 11/20 0.42
ST14 Q9Y5Y6 1/20 0.41
F7 P08709 4/20 0.40
PRSS1 P07477 2/20 0.40
KLKB1 P03952 5/20 0.38
MASP2 O00187 3/20 0.37
F3 P13726 1/20 0.36
ADRA1B P35368 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5043550 1.00 F10 (0.48) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5043528 0.99 F10 (0.49) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5045476 0.99 F10 (0.49) F10F2ST14F7PRSS1
SCHEMBL5042821 0.91 F10 (0.47) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5041653 0.90 F10 (0.48) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5037769 0.89 F10 (0.48) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5037778 0.89 F10 (0.48) F10F2ST14F7PRSS1
SCHEMBL5042128 0.87 F10 (0.46) F10F2ST14F7PRSS1
SCHEMBL5042119 0.87 F10 (0.46) F10F2ST14F7PRSS1
Hydrochloric Acid SCHEMBL5041547 0.86 F10 (0.50) F10F2ST14F7PRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP claimed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO claimed
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