SCHEMBL2028247

SCHEMBL2028247

NCc1c(CC(=O)O)c2ccccc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NQO1 P15559 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4D Q08499 1/20 0.50
PCSK7 Q16549 1/20 0.50
GPR35 Q9HC97 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2522178 0.94 ALDH1A1 (0.50) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL28719517 0.83 NQO1 (0.55) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL3931144 0.83 GAA (0.57) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10638322 0.83 NQO1 (0.73) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10349945 0.81 ALDH1A1 (0.49) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10710132 0.80 CA12 (0.49) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL307859 0.80 CA12 (0.60) ALDH1A1NQO1MEN1KMT2ALMNA
Zinc Ion SCHEMBL29660558 0.79 ALDH1A1 (0.48) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL28455189 0.77 ALDH1A1 (0.47) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL429446 0.77 GAA (0.52) ALDH1A1NQO1MEN1KMT2ALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963859-B1 METHOD OF DISCRIMINATING AT LEAST TWO CELL POPULATIONS, AND APPLICATION HORIBA ABX SAS (FR) 2010-12-01 EP claimed
EP-1963859-A1 METHOD OF DISCRIMINATING AT LEAST TWO CELL POPULATIONS, AND APPLICATION HORIBA ABX SAS (FR) 2008-09-03 EP claimed
WO-2007080245-A1 METHOD OF DISCRIMINATING AT LEAST TWO CELL POPULATIONS, AND APPLICATION HORIBA ABX SAS (FR) 2007-07-19 WO claimed
US-20110135606-A1 TEST SYSTEMS FOR THE ANALYSIS OF POLYPEPTIDES AND CELLS ADHERING TO SILICONES WICK, IMMUNOLOGISCHE DIAGNOSTIK U. BERATUNG KG (AT) 2011-06-09 US disclosed
EP-1963859-B1 METHOD OF DISCRIMINATING AT LEAST TWO CELL POPULATIONS, AND APPLICATION HORIBA ABX SAS (FR) 2010-12-01 EP disclosed
CN-101371138-A Test systems for the analysis of polypeptides and cells adhering to silicones IDC IMMUNOLOGICAL DIAGNOSTIC A (AT) 2009-02-18 CN disclosed
WO-2007082757-A2 TEST SYSTEMS FOR THE ANALYSIS OF POLYPEPTIDES AND CELLS ADHERING TO SILICONES WICK, IMMUNOLOGISCHE DIAGNOSTIK U. BERATUNG KG (AT) 2007-07-26 WO disclosed
EP-1811297-A1 Test systems for the analysis of polypeptides and cells adhering to silicones IDC Immunological Diagnostic and Consulting KG (AT) 2007-07-25 EP disclosed
WO-2006089572-A1 POLYELECTROLYTE CAPSULES FOR DETECTING ANTIGEN-ANTIBODY-REACTIONS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2006-08-31 WO disclosed