SCHEMBL2164968

SCHEMBL2164968

OC1(c2ccc3ccccc3n2)C=CC=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LMNA P02545 3/20 0.40
NCF1 P14598 3/20 0.36
CYP1A2 P05177 2/20 0.36
NOS2 P35228 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MGAM O43451 1/20 0.36
MAPT P10636 3/20 0.34
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PRNP P04156 1/20 0.33

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
SCHEMBL28659625 0.67 HTT (0.46) HTTLMNANCF1CYP1A2NOS2
SCHEMBL30824471 0.63 HTT (0.47) HTTLMNANCF1CYP1A2NOS2
SCHEMBL14940197 0.62 NPC1 (0.45) HTTLMNANCF1CYP1A2NOS2
SCHEMBL22127183 0.62 NCF1 (0.47) HTTLMNANCF1CYP1A2NOS2
SCHEMBL10083312 0.61 MGAM (0.49) HTTLMNAMGAMMAPTNPC1
SCHEMBL24281312 0.60 KMT2A (0.54) HTTLMNAALDH1A1NPSR1GAA
SCHEMBL7648132 0.60 NCF1 (0.54) LMNANCF1CYP1A2NOS2BACE1
SCHEMBL4936198 0.59 LMNA (0.39) HTTLMNANCF1CYP1A2NOS2
SCHEMBL84064 0.59 NCF1 (0.52) LMNANCF1CYP1A2NOS2BACE1
SCHEMBL6140328 0.59 NCF1 (0.52) LMNANCF1CYP1A2NOS2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188635-B1 QUANTIFICATION OF ANALYTES USING ACCELERATOR MASS SPECTROMETRY XCELERON INC (US) 2014-03-12 EP disclosed
US-7985589-B2 Quantification of analytes using accelerator mass spectrometry XCELERON, LIMITED (GB) 2011-07-26 US disclosed
EP-2188635-A1 QUANTIFICATION OF ANALYTES USING ACCELERATOR MASS SPECTROMETRY Xceleron Limited (GB) 2010-05-26 EP disclosed
US-20100120156-A1 QUANTIFICATION OF ANALYTES USING ACCELERATOR MASS SPECTROMETRY XCELERON, LIMITED 2010-05-13 US disclosed
WO-2009010764-A1 QUANTIFICATION OF ANALYTES USING ACCELERATOR MASS SPECTROMETRY XCELERON LIMITED (GB) 2009-01-22 WO disclosed