SCHEMBL3074952

SCHEMBL3074952

NC(CC(=S)Nc1ccccc1)=Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
KMT2A Q03164 2/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
LMNA P02545 1/20 0.58
SLC6A2 P23975 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TAS2R38 P59533 3/20 0.50
TP53 P04637 1/20 0.50
TYR P14679 1/20 0.50
TSHR P16473 1/20 0.50
KDM1A O60341 1/20 0.45

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
SCHEMBL3074309 0.79 KDM1A (0.72) CYP2D6KMT2AGRIN2DGRIN3BLMNA
SCHEMBL3069527 0.79 ALDH1A1 (0.64) CYP2D6KMT2ALMNAALDH1A1HSD17B10
SCHEMBL3071122 0.77 HSD17B10 (0.64) CYP2D6KMT2ALMNAALDH1A1HSD17B10
SCHEMBL3069525 0.74 ALDH1A1 (0.57) KMT2ALMNAALDH1A1HSD17B10TAS2R38
SCHEMBL3079514 0.74 HSD17B10 (0.57) CYP2D6KMT2ALMNAALDH1A1HSD17B10
SCHEMBL809224 0.74 SIGMAR1 (1.00) CYP2D6KMT2AGRIN2DGRIN3BLMNA
SCHEMBL78658 0.74 SIGMAR1 (1.00) CYP2D6KMT2AGRIN2DGRIN3BLMNA
Bromide SCHEMBL30258978 0.72 SIGMAR1 (0.96) CYP2D6KMT2AGRIN2DGRIN3BLMNA
Hydrochloric Acid SCHEMBL8157616 0.72 SIGMAR1 (0.96) CYP2D6KMT2AGRIN2DGRIN3BLMNA
SCHEMBL7362194 0.71 HSD17B10 (0.58) CYP2D6KMT2ALMNAALDH1A1HSD17B10

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 20 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-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
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed