SCHEMBL5045698

SCHEMBL5045698

CCO[C@H](C(=O)NCc1ccc(C(=N)N)cc1)c1ccc(OC)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.47
ST14 Q9Y5Y6 1/20 0.43
F10 P00742 3/20 0.43
PRSS1 P07477 2/20 0.42
F7 P08709 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KLKB1 P03952 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
SCHEMBL5045691 1.00 F2 (0.47) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5047834 0.99 F2 (0.47) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5041977 0.99 F2 (0.47) F2ST14F10PRSS1F7
Acetic Acid SCHEMBL5037836 0.97 F2 (0.45) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5040494 0.92 F2 (0.45) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5040483 0.92 F2 (0.45) F2ST14F10PRSS1F7
SCHEMBL5042056 0.91 F2 (0.49) F2ST14F10PRSS1F7
SCHEMBL5042049 0.91 F2 (0.49) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5045897 0.90 F2 (0.49) F2ST14F10PRSS1F7
Hydrochloric Acid SCHEMBL5045900 0.90 F2 (0.49) F2ST14F10PRSS1F7

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 4 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-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