SCHEMBL340118

SCHEMBL340118

O=C1NC(=O)c2c(NCCc3ccc(O)cc3)cccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MTOR P42345 1/20 0.63
RAB9A P51151 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.63
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CASP3 P42574 6/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 2/20 0.40
MT-CO2 P00403 1/20 0.40
MAPK10 P53779 1/20 0.39

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
SCHEMBL22032727 0.92 NPC1 (0.53) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL24236985 0.86 KDM4E (0.51) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL22032687 0.86 NPC1 (0.46) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL7067927 0.83 RAB9A (0.78) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL7064269 0.82 RAB9A (0.72) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL24299238 0.81 ALDH1A1 (0.46) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL22032792 0.80 KDM4E (0.48) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL22078652 0.80 KDM4E (0.45) NPC1MTORRAB9ASIRT2KDM4E
SCHEMBL8650828 0.80 RAB9A (0.82) NPC1MTORRAB9ASIRT2ALDH1A1
SCHEMBL22079198 0.80 ALDH1A1 (0.48) NPC1MTORRAB9ASIRT2KDM4E

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-8158438-B2 Method for the determination of the concentration of a non-volatile analyte ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-04-17 US disclosed
US-8097725-B2 Luminescent indicator dye and optical sensor ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-01-17 US disclosed
EP-1899712-B1 METHOD FOR THE DETERMINATION OF THE CONCENTRATION OF A NON-VOLATILE ANALYTE HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
EP-1817290-B1 LUMINESCENT INDICATOR DYE AND OPTICAL SENSOR ROCHE DIAGNOSTICS GMBH (DE) 2008-11-12 EP disclosed
US-20080215254-A1 Method for the Determination of the Concentration of a Non-Volatile Analyte ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2008-09-04 US disclosed
EP-1899712-A1 METHOD FOR THE DETERMINATION OF THE CONCENTRATION OF A NON-VOLATILE ANALYTE F. Hoffmann-Roche AG (CH) 2008-03-19 EP disclosed
EP-1817290-A2 LUMINESCENT INDICATOR DYE AND OPTICAL SENSOR Roche Diagnostics GmbH (DE) 2007-08-15 EP disclosed
WO-2007006454-A1 METHOD FOR THE DETERMINATION OF THE CONCENTRATION OF A NON-VOLATILE ANALYTE F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
EP-1742039-A1 Method for the determination of the concentration of a non-volatile analyte F. Hoffmann-La Roche Ltd. (CH) 2007-01-10 EP disclosed
US-20060121623-A1 Luminescent indicator dye and optical sensor ROCHE DIAGNOSTICS OPERATIONS, INC. 2006-06-08 US disclosed
WO-2006058778-A2 LUMINESCENT INDICATOR DYE AND OPTICAL SENSOR ROCHE DIAGNOSTICS GMBH (DE) 2006-06-08 WO disclosed