SCHEMBL3148652

SCHEMBL3148652

CCNc1nc(NCCC(=O)O)nc(NCCC(=O)O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.62
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 1/20 0.52
MCL1 Q07820 1/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
CA14 Q9ULX7 3/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL8972579 0.89 KDM4E (0.68) KMT2AKDM4EL3MBTL1GAAMEN1
SCHEMBL3131429 0.89 KMT2A (0.50) KMT2AKDM4EL3MBTL1GAAMEN1
SCHEMBL8972565 0.85 KMT2A (0.47) KMT2AKDM4EL3MBTL1GAAMEN1
SCHEMBL3145561 0.85 KMT2A (0.59) KMT2AKDM4EGAAMEN1CA1
SCHEMBL3130544 0.82 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL14077521 0.82 KDM4E (0.59) KMT2AKDM4EL3MBTL1GAACA1
SCHEMBL3136138 0.82 KDM4E (0.59) KMT2AKDM4EGAACA1CA2
SCHEMBL3144833 0.80 KDM4E (0.54) KMT2AKDM4EL3MBTL1GAAMEN1
SCHEMBL3140673 0.78 KMT2A (0.56) KMT2AKDM4EL3MBTL1MEN1CA1
SCHEMBL3132786 0.78 KMT2A (0.56) KMT2AKDM4EL3MBTL1MEN1CA1

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 12 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-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-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 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