SCHEMBL3065468

SCHEMBL3065468

NC(=O)NC(=O)N(SCc1ccccc1)SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.42
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 1/20 0.36
KEAP1 Q14145 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL7080741 0.77 IDO1 (0.46) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL11527809 0.77 KMT2A (0.50) CYP2C19PKMALDH1A1HPGDLMNA
SCHEMBL8728754 0.76 CYP2C19 (0.47) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL3067377 0.74 ALDH1A1 (0.61) ALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL3077752 0.74 SIRT1 (0.37) CYP2C19ALDH1A1LMNA
SCHEMBL11530105 0.73 GAA (0.48) CYP2C19ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL6683855 0.73 IDO1 (0.48) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL3072462 0.72 IDO1 (0.44) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL9384618 0.72 CYP2C19 (0.45) CYP2C19ALDH1A1NPSR1HPGDLMNA
SCHEMBL3063086 0.71 IDO1 (0.43) IDO1NOS1NOS3NOS2CYP2C19

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-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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED 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