SCHEMBL3074309

SCHEMBL3074309

NC(CC(=O)Nc1ccccc1)=Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.72
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
CYP2D6 P10635 1/20 0.62
SLC6A2 P23975 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL469599 0.84 KDM1A (1.00) KDM1AKMT2ALMNAGRIN2DGRIN3B
SCHEMBL3074952 0.79 CYP2D6 (0.58) KDM1AKMT2ALMNAGRIN2DGRIN3B
SCHEMBL9271058 0.78 KDM1A (0.51) KDM1AKMT2ALMNAGRIN2DGRIN3B
SCHEMBL7678606 0.78 KDM1A (0.51) KDM1AKMT2ALMNAGRIN2DGRIN3B
SCHEMBL1689279 0.77 KDM1A (0.69) KDM1AKMT2AL3MBTL1MAOBMAPT
SCHEMBL78658 0.77 SIGMAR1 (1.00) KMT2ALMNAGRIN2DGRIN3BCYP2D6
SCHEMBL809224 0.77 SIGMAR1 (1.00) KMT2ALMNAGRIN2DGRIN3BCYP2D6
SCHEMBL1689206 0.77 EPHX2 (0.68) KDM1AKMT2AL3MBTL1MAOBMAPT
Bromide SCHEMBL30258978 0.76 SIGMAR1 (0.96) KMT2ALMNAGRIN2DGRIN3BCYP2D6
SCHEMBL28051723 0.76 KDM1A (0.67) KDM1AL3MBTL1MAOBMAPTHTT

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 18 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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed