SCHEMBL594361

SCHEMBL594361

O=[N+]([O-])c1ccc2c(c1)ncn2S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.57
HPGD P15428 2/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
FGFR1 P11362 2/20 0.49
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
BRD4 O60885 1/20 0.45
KCNH2 Q12809 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CYP3A4 P08684 1/20 0.42
NAMPT P43490 1/20 0.42
XDH P47989 1/20 0.42
MEN1 O00255 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
SCHEMBL2160267 0.87 FGFR1 (0.60) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL211698 0.80 L3MBTL1 (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL28299485 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911364 0.80 MAPT (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL11050724 0.79 ALDH1A1 (0.58) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911367 0.78 ALDH1A1 (0.57) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL31304613 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL15531972 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL22449397 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911377 0.76 PKM (0.64) ALDH1A1MAPTHPGDPKMKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114206-B2 Corrosion resistant coatings with modified metal salts of corrosion resisting organic anions Lumimove, Inc., A Missouri Corporation, (US) 2012-02-14 US claimed
US-20110236700-A1 CORROSION RESISTANT COATINGS WITH MODIFIED METAL SALTS OF CORROSION RESISTING ORGANIC ANIONS LUMIMOVE, INC., A MISSOURI CORPORATION, DBA CROSSLINK (US) 2011-09-29 US claimed
US-7935181-B2 acid salt; neutralization of corrosion LUMIMOVE, INC. (US) 2011-05-03 US claimed
EP-2118342-A2 CORROSION RESISTANT COATINGS WITH MODIFIED METAL SALTS OF CORROSION RESISTING ORGANIC ANIONS Crosslink (US) 2009-11-18 EP claimed
WO-2008140648-A9 CORROSION RESISTANT COATINGS WITH MODIFIED METAL SALTS OF CORROSION RESISTING ORGANIC ANIONS CROSSLINK (US) 2009-01-08 WO claimed
WO-2008140648-A2 CORROSION RESISTANT COATINGS WITH MODIFIED METAL SALTS OF CORROSION RESISTING ORGANIC ANIONS CROSSLINK (US) 2008-11-20 WO claimed
US-20080216705-A1 Corrosion resistant coatings with modified metal salts of corrosion resisting organic anions DEPARTMENT OF THE NAVY 2008-09-11 US claimed
US-6942899-B2 Coating for inhibiting oxidation of a substrate THE BOEING COMPANY (US) 2005-09-13 US claimed
US-20150168305-A1 METHOD OF DETECTING AN ANALYTE IN A SAMPLE USING RAMAN SPECTROSCOPY, INFRA RED SPECTROSCOPY AND/OR FLUORESCENCE SPECTROSCOPY IMPERIAL INNOVATIONS LIMITED (GB) 2015-06-18 US disclosed
EP-2880425-A2 METHOD OF DETECTING AN ANALYTE IN A SAMPLE USING RAMAN SPECTROSCOPY, INFRA RED SPECTROSCOPY AND/OR FLUORESCENCE SPECTROSCOPY Imperial Innovations Limited (GB) 2015-06-10 EP disclosed
WO-2014020014-A2 METHOD OF DETECTING AN ANALYTE IN A SAMPLE USING RAMAN SPECTROSCOPY, INFRA RED SPECTROSCOPY AND/OR FLUORESCENCE SPECTROSCOPY IMPERIAL INNOVATIONS LIMITED (GB) 2014-02-06 WO disclosed
US-8114206-B2 Corrosion resistant coatings with modified metal salts of corrosion resisting organic anions Lumimove, Inc., A Missouri Corporation, (US) 2012-02-14 US disclosed
US-20110236700-A1 CORROSION RESISTANT COATINGS WITH MODIFIED METAL SALTS OF CORROSION RESISTING ORGANIC ANIONS LUMIMOVE, INC., A MISSOURI CORPORATION, DBA CROSSLINK (US) 2011-09-29 US disclosed
US-7935181-B2 acid salt; neutralization of corrosion LUMIMOVE, INC. (US) 2011-05-03 US disclosed
US-20080216705-A1 Corrosion resistant coatings with modified metal salts of corrosion resisting organic anions DEPARTMENT OF THE NAVY 2008-09-11 US disclosed
US-20050201890-A1 Composition for the controlled release of inhibitors for corrosion, biofouling, and scaling THE BOEING COMPANY 2005-09-15 US disclosed
US-6942899-B2 Coating for inhibiting oxidation of a substrate THE BOEING COMPANY (US) 2005-09-13 US disclosed
US-20040005478-A1 Coating for inhibiting oxidation of a substrate BOEING COMPANY, THE 2004-01-08 US disclosed
US-5288528-A Decomposing, repolymerizing additoin polymers; chain transfer agent or initiator present; molecular weight control E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-22 US disclosed
EP-0397529-A2 Photohardenable electrostatic element with improved environmental latitude E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-14 EP disclosed