SCHEMBL3074778

SCHEMBL3074778

NC(CC(=O)NCc1ccccc1)=NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.68
GRIN2B Q13224 3/20 0.68
GRIN2D O15399 2/20 0.68
GRIN3B O60391 2/20 0.68
GRIN2A Q12879 2/20 0.68
GRIN2C Q14957 2/20 0.68
GRIN3A Q8TCU5 2/20 0.68
SIGMAR1 Q99720 2/20 0.68
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NOS2 P35228 1/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
PRSS1 P07477 1/20 0.47
TPSAB1 Q15661 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1275831 0.81 GRIN2B (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3069435 0.81 GRIN1 (0.63) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL2109312 0.79 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL3087061 0.78 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL3070454 0.76 GAA (0.59) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL3072295 0.75 GRIN1 (0.59) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL622501 0.75 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL20924992 0.74 GAA (0.61) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL5176551 0.73 GAA (0.56) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2286641 0.73 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1

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 17 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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO 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
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed