SCHEMBL3070583

SCHEMBL3070583

OC(=S)C=CNc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 8/20 0.57
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 5/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.46
NOX1 Q9Y5S8 1/20 0.46
HSD17B10 Q99714 3/20 0.44
TAS2R38 P59533 3/20 0.44
CYP3A4 P08684 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3083771 0.83 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3083769 0.83 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3074578 0.81 GAA (0.52) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3074580 0.81 GAA (0.52) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3077795 0.77 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3077797 0.77 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL223591 0.77 ALDH1A1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL223592 0.77 ALDH1A1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL23191752 0.74 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL16252099 0.74 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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