SCHEMBL3079677

SCHEMBL3079677

N=C(NC1CC2CCC1C2)SC(=N)OO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
SIGMAR1 Q99720 4/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
EPHX1 P07099 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL3064230 0.81 SIGMAR1 (0.55) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3085365 0.80 MAPT (0.49) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3067092 0.79 EPHX2 (0.51) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6720956 0.73 EPHX2 (0.52) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3078854 0.70 SIGMAR1 (0.56) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3062969 0.69 SIGMAR1 (0.47) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3072034 0.68 EPHX2 (0.56) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3067293 0.68 EPHX2 (0.47) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL11566941 0.67 SIGMAR1 (0.47) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL11676043 0.67 EPHX2 (0.54) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed