SCHEMBL2564045

SCHEMBL2564045

COC(=O)C1C(O)C(O)CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
BRD4 O60885 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GBA2 Q9HCG7 1/20 0.31

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
SCHEMBL15719819 0.84 TSHR (0.37) CYP2C19TSHRMMP2ANPEPBRD4
SCHEMBL15718956 0.82 BRD4 (0.34) CYP2C19TSHRMMP2ANPEPBRD4
SCHEMBL15719829 0.82 MMP2 (0.33) CYP2C19TSHRMMP2ANPEPBRD4
SCHEMBL31238977 0.78 CHRM2 (0.37) CYP2C19TSHR
SCHEMBL2563380 0.78 CHRM2 (0.37) CYP2C19TSHR
SCHEMBL31234227 0.78 CHRM2 (0.37) CYP2C19TSHR
SCHEMBL3322134 0.78 CHRM2 (0.37) CYP2C19TSHR
SCHEMBL2563379 0.78 CHRM2 (0.37) CYP2C19TSHR
SCHEMBL21360153 0.78
SCHEMBL5065905 0.78 ATM (0.31) CYP2C19GBA2

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-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed