SCHEMBL3082353

SCHEMBL3082353

N=C(NC1CCCCC1)SC(=S)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
EPHX1 P07099 5/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3072017 0.85 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3078933 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3062295 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3078929 0.76 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL3080582 0.76 EPHX1 (0.50) ALDH1A1CYP3A4SMN1; SMN2LMNANPC1
SCHEMBL3067322 0.74 EPHX1 (0.40) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
Iodide SCHEMBL9427898 0.72 SIGMAR1 (0.45) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL7745327 0.70 SMN1; SMN2 (0.52) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL7745330 0.70 SMN1; SMN2 (0.52) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL1854094 0.69 ALDH1A1 (0.64) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA

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 17 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
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