SCHEMBL5045708

SCHEMBL5045708

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
ST14 Q9Y5Y6 1/20 0.46
F2 P00734 10/20 0.42
F7 P08709 3/20 0.42
PRSS1 P07477 3/20 0.42
KLKB1 P03952 4/20 0.41
MAPK1 P28482 1/20 0.40
MASP2 O00187 2/20 0.40
TMPRSS15 P98073 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.38

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
SCHEMBL5045713 1.00 F10 (0.48) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5040991 0.99 F10 (0.49) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5040990 0.99 F10 (0.49) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5037730 0.90 F10 (0.52) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5037729 0.90 F10 (0.52) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5042563 0.88 ST14 (0.46) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5042567 0.88 ST14 (0.46) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5042629 0.88 F10 (0.57) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5041941 0.88 F10 (0.53) F10ST14F2F7PRSS1
Hydrochloric Acid SCHEMBL5041921 0.88 F10 (0.53) F10ST14F2F7PRSS1

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 1 patent. 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