SCHEMBL3074777

SCHEMBL3074777

N=C(CC(=O)NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MCL1 Q07820 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 4/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
EPHX2 P34913 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL3069486 0.86 GAA (0.53) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL3087061 0.86 GAA (0.73) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL3070454 0.83 GAA (0.59) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL622501 0.82 GAA (0.68) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL3080453 0.78 ALOX12 (0.50) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL7126303 0.78 GAA (0.63) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL6578808 0.78 GAA (0.63) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL2109312 0.78 GAA (0.63) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL9403358 0.78 GAA (0.58) GAAMCL1KMT2AMEN1ALDH1A1
SCHEMBL414454 0.78 GAA (0.68) GAAMCL1KMT2AMEN1ALDH1A1

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