SCHEMBL900444

SCHEMBL900444

Cc1ccc(S(=O)(=O)OCCN(C)c2ccc3cc(CC=C(C#N)C#N)ccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
SNCA P37840 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
BCHE P06276 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
SCHEMBL4907472 0.79 APP (0.59) APPCA12CA1CA9HTT
SCHEMBL13733324 0.77 APP (0.58) APPL3MBTL1MAPTSNCAMEN1
SCHEMBL13020459 0.76 APP (0.45) APPCA12CA1CA9HTT
SCHEMBL5144699 0.73 APP (0.44) APPL3MBTL1MAPTSNCAMEN1
SCHEMBL5258061 0.73 HCRTR2 (0.45) KMT2AALDH1A1BCHEACHE
SCHEMBL15326042 0.71 BCHE (0.38) CA12CA1CA9ALDH1A1BCHE
SCHEMBL5142551 0.70 MEN1 (0.41) APPCA12CA1CA9L3MBTL1
SCHEMBL13294955 0.70 APP (0.35) APPL3MBTL1MAPTMEN1KMT2A
SCHEMBL1852056 0.69 CYP2A6 (0.42) APPCA12CA1CA9MAPT
SCHEMBL5259457 0.69 CNR2 (0.45) MAPTALDH1A1HPGDBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008522795-A 2008-07-03 JP claimed
EP-1838431-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS California Institute of Technology (US) 2007-10-03 EP claimed
WO-2006071470-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-06 WO claimed
EP-2585211-A2 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS ABX Advanced Biochemical Compounds GmbH (DE) 2013-05-01 EP disclosed
WO-2012041305-A2 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2012-04-05 WO disclosed
EP-1838431-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS California Institute of Technology (US) 2007-10-03 EP disclosed
WO-2006071470-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-06 WO disclosed
EP-1667794-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG Molecular Technologies Inc. (US) 2006-06-14 EP disclosed
WO-2004093652-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG MOLECULAR TECHNOLOGIES, INC. (US) 2004-11-04 WO disclosed