SCHEMBL721907

SCHEMBL721907

O=C(O)CNc1nc(NCC(=O)O)nc(NCC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP10 P09238 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
CA3 P07451 1/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL5884933 0.91 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL17089132 0.89 CA1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL9438755 0.89 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL1870258 0.89 CA1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL4292023 0.84 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL15440765 0.84 CYP1A2 (0.48) CA12CA1CA2CA9CA14
Water SCHEMBL11190091 0.82 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL16134191 0.82 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL1872209 0.82 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL22693647 0.82 SLC29A1 (0.47) CA12CA1CA2CA9CA14

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-7641813-B2 protect metals from corrosion and are effective in preventing hard water deposits; comprising water soluble liquid alcohol freezing point depressants ethylene glycol, 2,4,6-tris(5-carboxypentylamino)-1,3,5-triazine, a mixture of tolutriazole compounds, 2-ethylhexanoic acid, heptanoic acid CIBA CORPORATION (US) 2010-01-05 US claimed
WO-2009043814-A1 ANTIFREEZE COMPOSITIONS BASF SE (CH) 2009-04-09 WO claimed
US-20090090887-A1 Antifreeze compositions CIBA CORP. 2009-04-09 US claimed
US-20120049110-A1 Process For Producing A Carbon-Comprising Composite BASF SE (DE) 2012-03-01 US disclosed
US-7641813-B2 protect metals from corrosion and are effective in preventing hard water deposits; comprising water soluble liquid alcohol freezing point depressants ethylene glycol, 2,4,6-tris(5-carboxypentylamino)-1,3,5-triazine, a mixture of tolutriazole compounds, 2-ethylhexanoic acid, heptanoic acid CIBA CORPORATION (US) 2010-01-05 US disclosed
WO-2009043814-A1 ANTIFREEZE COMPOSITIONS BASF SE (CH) 2009-04-09 WO disclosed
US-20090090887-A1 Antifreeze compositions CIBA CORP. 2009-04-09 US disclosed
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0511163-B1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
EP-0553962-A1 Corrosion inhibiting compositions CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
EP-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 EP disclosed
EP-0262086-B1 CORROSION INHIBITOR CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
US-5076951-A Hydrolyzed copolymer of maleic anhydride with ethyleneically u nsaturated monomer, corosion inhibitor, polyhyrdric alcohol CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0398284-A1 Antifreeze compositions CIBA-GEIGY AG (CH) 1990-11-22 EP disclosed
US-4877552-A IMIDAZOLINE DERIVATIVES, TRIAZINE POLYACID, ALKANOLAMINE AND WATER CIBA-GEIGY CORPORATION (US) 1989-10-31 US disclosed
EP-0262086-A2 Corrosion inhibitor CIBA-GEIGY AG (CH) 1988-03-30 EP disclosed
EP-0046139-B1 USE OF TRIAZINE-CARBOXYLIC ACIDS AS CORROSION INHIBITORS FOR AQUEOUS SYSTEMS CIBA-GEIGY AG (CH) 1984-07-18 EP disclosed
US-4402907-A Triazine carboxylic acids as corrosion inhibitors for aqueous systems CIBA-GEIGY CORPORATION (US) 1983-09-06 US disclosed
EP-0046139-A1 Use of triazine-carboxylic acids as corrosion inhibitors for aqueous systems CIBA-GEIGY AG (CH) 1982-02-17 EP disclosed