SCHEMBL5041269

SCHEMBL5041269

COC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cccc1OCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.44
ST14 Q9Y5Y6 1/20 0.43
F2 P00734 13/20 0.41
MASP2 O00187 1/20 0.41
PRSS1 P07477 3/20 0.40
F7 P08709 3/20 0.40
PKM P14618 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
KLKB1 P03952 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
Hydrochloric Acid SCHEMBL5042318 0.99 F10 (0.45) F10ST14F2MASP2PRSS1
SCHEMBL5037908 0.93 F2 (0.45) F10ST14F2MASP2PRSS1
Acetic Acid SCHEMBL5042397 0.91 KDM4E (0.42) F10ST14F2MASP2PRSS1
SCHEMBL5047696 0.90 ST14 (0.43) F10ST14F2MASP2PRSS1
SCHEMBL5044971 0.90 ST14 (0.46) F10ST14F2MASP2PRSS1
SCHEMBL5044974 0.90 ST14 (0.46) F10ST14F2MASP2PRSS1
Hydrochloric Acid SCHEMBL5045151 0.90 ST14 (0.42) F10ST14F2MASP2PRSS1
Hydrochloric Acid SCHEMBL5047665 0.89 CARM1 (0.46) F10ST14F2MASP2PRSS1
Hydrochloric Acid SCHEMBL5047660 0.89 CARM1 (0.46) F10ST14F2MASP2PRSS1
SCHEMBL6448878 0.89 ST14 (0.50) F10ST14F2MASP2PRSS1

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