SCHEMBL2856934

SCHEMBL2856934

O=C(O)CC(C(=O)O)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
HIF1A Q16665 1/20 0.56
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.50
ALOX5 P09917 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
CSNK1D P48730 1/20 0.47
NCS1 P62166 1/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL402775 0.90 HPGD (0.55) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
Ammonia Solution, Strong SCHEMBL7033471 0.88 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
SCHEMBL402777 0.88 PKM (0.52) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
SCHEMBL30944811 0.88 PKM (0.52) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
Ammonia Solution, Strong SCHEMBL7032987 0.87 PKM (0.51) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
Methylamine SCHEMBL10867351 0.86 HPGD (0.51) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
SCHEMBL4786698 0.85 HPGD (0.56) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
SCHEMBL3787121 0.85 HPGD (0.56) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
Methylamine SCHEMBL10867358 0.85 PKM (0.52) HPGDHSD17B10CYP1A2CYP2C19CYP2C9
Dimethylamine SCHEMBL10597484 0.85 HPGD (0.50) HPGDHSD17B10CYP1A2CYP2C19CYP2C9

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-6376080-B1 HEATING A BENZOXAZINE; ACID CATALYST LOCTITE CORPORATION 2002-04-23 US claimed
CN-110760854-A Hydroxyethylidene diphosphonic acid intercalated zinc-aluminum hydrotalcite corrosion inhibitor and preparation method thereof 天津大学 2020-02-07 CN disclosed
US-20100140542-A1 BENZOXAZINE CONTAINING COMPOSITIONS OF MATTER AND CURABLE COMPOSITIONS MADE THEREWITH HENKEL CORPORATION (US) 2010-06-10 US disclosed
EP-2167478-A1 BENZOXAZINE CONTAINING COMPOSITIONS OF MATTER AND CURABLE COMPOSITIONS MADE THEREWITH Henkel Corporation (US) 2010-03-31 EP disclosed
EP-1593716-B1 Powder coating compositions AKZO NOBEL COATINGS INT BV (NL) 2009-02-25 EP disclosed
WO-2008156443-A1 BENZOXAZINE CONTAINING COMPOSITIONS OF MATTER AND CURABLE COMPOSITIONS MADE THEREWITH HENKEL CORPORATION (US) 2008-12-24 WO disclosed
US-7244780-B1 Powder coating compositions INTERNATIONAL COATINGS LIMITED (GB) 2007-07-17 US disclosed
EP-1593716-A2 Powder coating compositions International Coatings Limited (GB) 2005-11-09 EP disclosed
US-6376080-B1 HEATING A BENZOXAZINE; ACID CATALYST LOCTITE CORPORATION 2002-04-23 US disclosed
EP-1129143-A1 POWDER COATING COMPOSITIONS International Coatings Limited (GB) 2001-09-05 EP disclosed
WO-2000022053-A1 POWDER COATING COMPOSITIONS INTERNATIONAL COATINGS LIMITED (GB) 2000-04-20 WO disclosed
EP-0742493-A1 Benzothiazolylsuccinic acid containing photoresist stripper composition OCG MICROELECTRONIC MATERIALS, INC. (US) 1996-11-13 EP disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5244738-A Benzothiazole derivatives THE DEXTER CORPORATION (US) 1993-09-14 US disclosed
US-5223025-A Blend of epoxy and phenolic resins and a carboxylated benzothiazole compound THE DEXTER CORPORATION (US) 1993-06-29 US disclosed
WO-1993005117-A1 COATING COMPOSITION FOR INHIBITING CORROSION OF METAL SUBSTRATES THE DEXTER CORPORATION (US) 1993-03-18 WO disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed