SCHEMBL3356415

SCHEMBL3356415

OC1(O)N=c2ccccc2=N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA2 P00918 2/20 0.32
RECQL P46063 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CA7 P43166 1/20 0.32
BACE1 P56817 1/20 0.32
CA9 Q16790 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
NPC1 O15118 1/20 0.30
CA12 O43570 1/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL1284435 0.73 KMT2A (0.32) KDM4ELMNAMAPTTSHRBACE1
SCHEMBL11374577 0.69 ALOX15 (0.31) TSHRALOX15
SCHEMBL30839467 0.69 KDM4E (0.32) KDM4ELMNAMAPTHCRTR1
SCHEMBL10446780 0.69 KDM4E (0.36) KDM4ELMNAMAPTHCRTR1ALDH1A1
SCHEMBL30599789 0.69 KDM4E (0.32) KDM4ELMNAMAPTHCRTR1
SCHEMBL17784279 0.67 NPSR1 (0.37) KDM4ELMNAMAPTHCRTR1ALDH1A1
SCHEMBL7846849 0.67 KDM4E (0.31) KDM4ELMNAMAPTHCRTR1
SCHEMBL11512857 0.67 HTR2B (0.32) KDM4ELMNAMAPTHCRTR1
SCHEMBL9729700 0.66 LMNA (0.32) LMNA
SCHEMBL25267081 0.65 KDM4E (0.31) KDM4ELMNAMAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100133098-A1 Methods and Devices for Concentration and Purification of Analytes for Chemical Analysis Including Matrix-Assisted Laser Desportion/Ionization (MALDI) Mass Spectrometry (MS) PROTEIN DISCOVERY, INC. 2010-06-03 US disclosed
US-7534338-B2 Methods and devices for concentration and purification of analytes for chemical analysis including matrix-assisted laser desorption/ionization(MALDI) mass spectrometry (MS) PROTEIN DISCOVERY, INC. (US) 2009-05-19 US disclosed
EP-1676292-A4 METHODS AND DEVICES FOR CONCENTRATION AND PURIFICATION OF ANALYTES FOR CHEMICAL ANALYSIS INCLUDING MATRIX-ASSISTED LASER DESORPTION/IONIZATION (MALDI) MASS SPECTROMETRY (MS) PROTEIN DISCOVERY INC (US) 2009-01-07 EP disclosed
CN-1890774-A Method and apparatus for enrichment and purification of analytes for chemical analysis including matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) analysis PROTEIN DISCOVERY INC (US) 2007-01-03 CN disclosed
EP-1676292-A2 METHODS AND DEVICES FOR CONCENTRATION AND PURIFICATION OF ANALYTES FOR CHEMICAL ANALYSIS INCLUDING MATRIX-ASSISTED LASER DESORPTION/IONIZATION (MALDI) MASS SPECTROMETRY (MS) Protein Discovery Inc. (US) 2006-07-05 EP disclosed
US-20050116161-A1 Methods and devices for concentration and purification of analytes for chemical analysis including matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) PROTEIN DISCOVERY, INC. (US) 2005-06-02 US disclosed
WO-2005036132-A2 METHODS AND DEVICES FOR CONCENTRATION AND PURIFICATION OF ANALYTES FOR CHEMICAL ANALYSIS INCLUDING MATRIX-ASSISTED LASER DESORPTION/IONIZATION (MALDI) MASS SPECTROMETRY (MS) PROTEIN DISCOVERY, INC. (US) 2005-04-21 WO disclosed