SCHEMBL5047696

SCHEMBL5047696

COC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cccc1OCCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.43
F2 P00734 13/20 0.42
MASP2 O00187 2/20 0.41
F7 P08709 4/20 0.40
F10 P00742 4/20 0.40
PRSS1 P07477 2/20 0.40
PKM P14618 1/20 0.40
KLKB1 P03952 1/20 0.40
F3 P13726 1/20 0.40
ADRA1B P35368 1/20 0.40
F9 P00740 1/20 0.39
PLAU P00749 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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 SCHEMBL5045151 0.99 ST14 (0.42) ST14F2MASP2F7F10
SCHEMBL5041269 0.90 F10 (0.44) ST14F2MASP2F7F10
SCHEMBL5044971 0.90 ST14 (0.46) ST14F2MASP2F7F10
SCHEMBL5044974 0.90 ST14 (0.46) ST14F2MASP2F7F10
Hydrochloric Acid SCHEMBL5042318 0.90 F10 (0.45) ST14F2MASP2F7F10
SCHEMBL5037908 0.90 F2 (0.45) ST14F2MASP2F7F10
Hydrochloric Acid SCHEMBL5047665 0.89 CARM1 (0.46) ST14F2MASP2F7F10
Hydrochloric Acid SCHEMBL5047660 0.89 CARM1 (0.46) ST14F2MASP2F7F10
SCHEMBL6448878 0.89 ST14 (0.50) ST14F2MASP2F10PRSS1
SCHEMBL6448875 0.89 ST14 (0.50) ST14F2MASP2F10PRSS1

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