SCHEMBL3736002

SCHEMBL3736002

N=C(N)SC(=O)NC(=O)CCC(=O)NC(=O)SC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.31
KDM5C P41229 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL3741218 0.88 CYP2C19 (0.36) CYP2C19CYP1A2HRH4
SCHEMBL3086492 0.80 CYP2C19 (0.31) CYP2C19
SCHEMBL3077531 0.80 CYP2C19 (0.32) CYP2C19CYP1A2
SCHEMBL3072568 0.74 KDM4E (0.36) KDM4EKDM5CPHF8KDM2A
SCHEMBL3076407 0.73 CYP2C19 (0.36) CYP2C19CYP1A2HRH4
SCHEMBL3080468 0.71 CYP2C19 (0.31) CYP2C19
SCHEMBL3078480 0.70
SCHEMBL3074143 0.70
SCHEMBL3058782 0.68 KDM4E (0.32) KDM4EKDM5CPHF8KDM2A
SCHEMBL3081232 0.68 CYP2C19 (0.32) CYP2C19

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 18 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-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-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-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