SCHEMBL440395

SCHEMBL440395

CCc1ccccc1N=C=Nc1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
SIGMAR1 Q99720 6/20 0.37
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
CNR2 P34972 5/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 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
SCHEMBL9623463 0.89 GABRA1 (0.47) NOS3NOS1NOS2SIGMAR1GABRA1
Butane SCHEMBL15090403 0.86 NOS3 (0.46) NOS3NOS1NOS2SIGMAR1GABRA1
SCHEMBL160103 0.86 SIGMAR1 (0.43) NOS3NOS1NOS2SIGMAR1GABRA1
SCHEMBL722841 0.86 GABRA1 (0.47) NOS3NOS1NOS2SIGMAR1GABRA1
Isobutane SCHEMBL27956334 0.84 SIGMAR1 (0.42) NOS3NOS1NOS2SIGMAR1GABRA1
Ethane SCHEMBL15090384 0.84 SIGMAR1 (0.42) NOS3NOS1NOS2SIGMAR1GABRA1
SCHEMBL15090382 0.81 SIGMAR1 (0.41) NOS3NOS1NOS2SIGMAR1GABRA1
SCHEMBL7730554 0.79 MIF (0.43) NOS3NOS1NOS2SIGMAR1GABRA1
SCHEMBL959941 0.76 GABRA1 (0.52) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL815068 0.75 SIGMAR1 (0.39) NOS3NOS1NOS2SIGMAR1GABRA1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247156-B2 Processes for producing polyester latexes with improved hydrolytic stability XEROX CORPORATION (US) 2012-08-21 US claimed
US-20120064453-A1 PROCESSES FOR PRODUCING POLYESTER LATEXES WITH IMPROVED HYDROLYTIC STABILITY XEROX CORPORATION (US) 2012-03-15 US claimed
US-9719011-B2 Proppant BASF SE (DE) 2017-08-01 US disclosed
US-9714378-B2 Proppant BASF SE (DE) 2017-07-25 US disclosed
EP-2705009-B1 AN ENCAPSULATED PARTICLE BASF SE (DE) 2017-03-08 EP disclosed
EP-2705010-B1 A DUST SUPPRESSING AGGREGATE BASF SE (DE) 2016-12-07 EP disclosed
US-9353020-B2 Dust suppressing aggregate BASF SE (DE) 2016-05-31 US disclosed
US-20150315458-A1 A Proppant BASF SE (DE) 2015-11-05 US disclosed
EP-2931831-A1 A PROPPANT BASF SE (DE) 2015-10-21 EP disclosed
US-9085495-B2 Encapsulated particle BASF SE (DE) 2015-07-21 US disclosed
WO-2014093229-A1 A PROPPANT BASF SE (DE) 2014-06-19 WO disclosed
WO-2012151530-A1 A DUST SUPPRESSING AGGREGATE BASF SE (DE) 2012-11-08 WO disclosed
WO-2012151506-A1 AN ENCAPSULATED PARTICLE BASF SE (DE) 2012-11-08 WO disclosed
WO-2012151091-A1 A PROPPANT BASF SE (DE) 2012-11-08 WO disclosed
US-8247156-B2 Processes for producing polyester latexes with improved hydrolytic stability XEROX CORPORATION (US) 2012-08-21 US disclosed
WO-2012104190-A1 A PROPPANT BASF SE (DE) 2012-08-09 WO disclosed
US-20120064453-A1 PROCESSES FOR PRODUCING POLYESTER LATEXES WITH IMPROVED HYDROLYTIC STABILITY XEROX CORPORATION (US) 2012-03-15 US disclosed
EP-2350228-A1 A PROPPANT BASF SE (DE) 2011-08-03 EP disclosed
WO-2010049467-A1 A PROPPANT BASF SE (DE) 2010-05-06 WO disclosed
US-4113676-A Aqueous dispersions of esters stabilized with carbodiimides PPG INDUSTRIES, INC. (US) 1978-09-12 US disclosed