SCHEMBL5035064

SCHEMBL5035064

CN1CC(=O)N(CCCC(N)=O)C1=N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 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
SCHEMBL3425627 0.87 PAOX (0.34) HDAC6ALDH1A1RECQLKDM4EMAPT
SCHEMBL3428460 0.87 PTGS1 (0.41) ALDH1A1KDM4E
SCHEMBL19675040 0.85 HDAC6 (0.31) HDAC6ALDH1A1RECQLKDM4EMAPT
SCHEMBL3425614 0.83 MEN1 (0.32) HDAC6ALDH1A1
SCHEMBL20081691 0.83 KDM4E (0.35) HDAC6RECQLKDM4EMAPT
SCHEMBL19229985 0.82 PLA2G7 (0.31) —
SCHEMBL31188474 0.80 KDM4E (0.42) RECQLKDM4EMAPT
SCHEMBL19675107 0.80 KDM4E (0.35) HDAC6ALDH1A1RECQLKDM4EMAPT
SCHEMBL15672233 0.79 SMN1; SMN2 (0.39) HDAC6ALDH1A1RECQLMAPT
Bromide SCHEMBL5041514 0.79 FKBP1A (0.41) RECQLKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233798-A1 NMR SYSTEMS AND METHODS FOR THE RAPID DETECTION OF ANALYTES T2 BIOSYSTEMS, INC. (US) 2017-08-17 — — US disclosed
US-9714940-B2 NMR systems and methods for the rapid detection of analytes T2 BIOSYSTEMS, INC. (US) 2017-07-25 — — US disclosed
EP-1301790-B1 DIRECT ASSESSMENT OF ANALYTE TO REFERENCE MOLECULE RATIOS NASER WERNER DR (DE) 2008-04-09 — — EP disclosed
US-20040038296-A1 Direct assessment of analyte to reference molecule ratios NASER, WERNER (DE) 2004-02-26 — — US disclosed
EP-1301790-A2 DIRECT ASSESSMENT OF ANALYTE TO REFERENCE MOLECULE RATIOS Naser, Werner, Dr. (DE) 2003-04-16 — — EP disclosed
WO-2002004950-A2 DIRECT ASSESSMENT OF ANALYTE TO REFERENCE MOLECULE RATIOS NASER WERNER (DE) 2002-01-17 — — WO disclosed
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