SCHEMBL5041960

SCHEMBL5041960

CC(=O)NC(C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.65
F10 P00742 6/20 0.65
PRSS1 P07477 6/20 0.65
TPSAB1 Q15661 2/20 0.56
ST14 Q9Y5Y6 1/20 0.52
MASP2 O00187 3/20 0.52
F7 P08709 4/20 0.52

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
SCHEMBL5041975 1.00 F2 (0.65) F2F10PRSS1TPSAB1ST14
Hydrochloric Acid SCHEMBL5041998 0.99 F2 (0.64) F2F10PRSS1TPSAB1ST14
Hydrochloric Acid SCHEMBL5041988 0.99 F2 (0.64) F2F10PRSS1TPSAB1ST14
SCHEMBL5047815 0.88 F2 (0.61) F2F10PRSS1TPSAB1ST14
SCHEMBL5047819 0.88 F2 (0.61) F2F10PRSS1TPSAB1ST14
SCHEMBL5382862 0.87 F2 (0.63) F2F10PRSS1TPSAB1ST14
Hydrochloric Acid SCHEMBL5045157 0.86 F2 (0.60) F2F10PRSS1TPSAB1ST14
Hydrochloric Acid SCHEMBL5045156 0.86 F2 (0.60) F2F10PRSS1TPSAB1ST14
SCHEMBL12168556 0.86 CA12 (0.61) F2F10PRSS1
SCHEMBL12168558 0.83 MEN1 (0.68) F2F10PRSS1

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