SCHEMBL3063973

SCHEMBL3063973

NC(=Nc1ccccc1)OC(=S)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.56
SLC6A2 P23975 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.48
TAS2R38 P59533 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.46

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
SCHEMBL3067265 0.80 KMT2A (0.56) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL3064867 0.78 ALDH1A1 (0.59) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL3082737 0.78 ALDH1A1 (0.61) KMT2ALMNAALDH1A1TAS2R38HSD17B10
SCHEMBL3082854 0.75 ALDH1A1 (0.55) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL3058150 0.75 ALDH1A1 (0.55) KMT2ALMNAALDH1A1TAS2R38HSD17B10
SCHEMBL78658 0.72 SIGMAR1 (1.00) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL809224 0.72 SIGMAR1 (1.00) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL3074952 0.71 CYP2D6 (0.58) KMT2AGRIN2DGRIN3BLMNACYP2D6
SCHEMBL6963209 0.71 ALDH1A1 (0.59) KMT2ALMNAALDH1A1TAS2R38HSD17B10
Bromide SCHEMBL30258978 0.71 SIGMAR1 (0.96) KMT2AGRIN2DGRIN3BLMNACYP2D6

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 19 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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP 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
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed