SCHEMBL3073164

SCHEMBL3073164

N=C(N)SC(=S)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
ALOX12 P18054 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
NOS1 P29475 2/20 0.47
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 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
SCHEMBL3064202 0.86 IDO1 (0.62) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL215514 0.85 IDO1 (0.71) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL3069095 0.84 IDO1 (0.61) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL3068149 0.81 IDO1 (0.71) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL3068221 0.81 IDO1 (0.61) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL3066247 0.79 CYP2D6 (0.50) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL9155920 0.77 GAA (0.57) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL26963101 0.77 IDO1 (0.65) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL45768 0.75 CA12 (0.57) IDO1ALOX12ALDH1A1HPGDGAA
SCHEMBL133802 0.75 ALOX12 (0.68) IDO1ALOX12ALDH1A1HPGDGAA

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 15 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
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