SCHEMBL3085365

SCHEMBL3085365

N=C(NC1CC2CCC1C2)SC(=S)NC1CC2CCC1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
EPHX1 P07099 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3062969 0.85 SIGMAR1 (0.47) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL3067092 0.81 EPHX2 (0.51) MAPTEPHX2ALDH1A1SIGMAR1GRIN2D
SCHEMBL3079677 0.80 EPHX2 (0.43) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL3082238 0.75 MAPT (0.70) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL3071087 0.75 MAPT (0.59) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL6720956 0.75 EPHX2 (0.52) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL1604532 0.72 SIGMAR1 (0.56) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL1606353 0.72 SIGMAR1 (0.56) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL2218573 0.72 SIGMAR1 (0.56) MAPTEPHX2ALDH1A1GAATDP1
SCHEMBL1606356 0.72 SIGMAR1 (0.56) MAPTEPHX2ALDH1A1GAATDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 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
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