SCHEMBL2230862

SCHEMBL2230862

[CH2]CCNCCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
POLB P06746 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHEK1 O14757 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
SCHEMBL229973 0.87 PAOX (0.43) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL1556386 0.86 PAOX (0.52) PAOXKMT2AMEN1NPSR1CYP2C19
SCHEMBL147326 0.82 KMT2A (0.37) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL7366067 0.79 PAOX (0.39) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL11323396 0.79 PAOX (0.48) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL10713651 0.77 CYP2C9 (0.54) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL8343447 0.77 CYP2C19 (0.46) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL14037056 0.77 PAOX (0.38) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL7994712 0.77 PAOX (0.57) PAOXKMT2AMEN1LMNANPSR1
SCHEMBL7926235 0.76 CYP2C19 (0.35) KMT2AMEN1LMNANPSR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7972682-B2 Reactive silicic acid suspensions WACKER CHEMIE AG (DE) 2011-07-05 US disclosed
US-20080113162-A1 Reactive Silicic Acid Suspensions WACKER CHEMIE AG (DE) 2008-05-15 US disclosed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6800413-B2 LOADING/REACTING HYDROPHILIC PYROGENIC SILICA WITH SILYLATING AGENT (METHYLTRICHLOROSILANE), THEN PURIFYING WITH INERT GAS WACKER-CHEMIE GMBH (DE) 2004-10-05 US disclosed
US-20030138715-A1 Low-silanol silica WACKER-CHEMIE GMBH (DE) 2003-07-24 US disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed
EP-0852606-A1 ORGANOPOLYSILOXANE COMPOUNDS CROSS-LINKABLE BY CLEAVING OF ALCOHOLS TO FORM ELASTOMERS Wacker-Chemie GmbH (DE) 1998-07-15 EP disclosed
WO-1997012939-A1 ORGANOPOLYSILOXANE COMPOUNDS CROSS-LINKABLE BY CLEAVING OF ALCOHOLS TO FORM ELASTOMERS WACKER-CHEMIE GMBH (DE) 1997-04-10 WO disclosed