SCHEMBL5041876

SCHEMBL5041876

COC(C(=O)NCc1ccc(C(=N)N)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.45
KLKB1 P03952 3/20 0.45
ST14 Q9Y5Y6 1/20 0.44
F7 P08709 1/20 0.41
TMPRSS6 Q8IU80 6/20 0.41
MCHR1 Q99705 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL5041880 1.00 F2 (0.45) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5041446 0.99 F2 (0.44) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5041454 0.99 F2 (0.44) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5038263 0.91 F2 (0.44) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5038265 0.91 F2 (0.44) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5040563 0.87 F7 (0.51) F2KLKB1ST14F7TMPRSS6
Hydrochloric Acid SCHEMBL5040562 0.87 F7 (0.51) F2KLKB1ST14F7TMPRSS6
SCHEMBL5041859 0.87 PKM (0.49) F2KLKB1ST14F7PRSS1
SCHEMBL5041852 0.87 PKM (0.49) F2KLKB1ST14F7PRSS1
Hydrochloric Acid SCHEMBL5047289 0.86 PKM (0.48) F2KLKB1ST14F7PRSS1

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 3 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 disclosed
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