SCHEMBL3145561

SCHEMBL3145561

CCCCNc1nc(NCCC(=O)O)nc(NCCC(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
SLC29A1 Q99808 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
AKR1B1 P15121 1/20 0.43
PLA2G2A P14555 1/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 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
SCHEMBL3130544 0.93 KMT2A (0.56) KMT2AKDM4EKCNH3ALDH1A1PLA2G2A
SCHEMBL3136138 0.86 KDM4E (0.59) KMT2AKDM4EKCNH3CA1CA2
SCHEMBL8972579 0.86 KDM4E (0.68) KMT2AKDM4ECA1CA2CA9
SCHEMBL3130537 0.86 KMT2A (0.55) KMT2AKCNH3ALDH1A1AKR1B1PLA2G2A
SCHEMBL3138830 0.86 GPR84 (0.59) KMT2AKCNH3ALDH1A1AKR1B1PLA2G2A
SCHEMBL3144831 0.85 KMT2A (0.50) KMT2AKDM4EKCNH3ALDH1A1AKR1B1
SCHEMBL22693647 0.85 SLC29A1 (0.47) KMT2AKDM4ESLC29A1KCNH3CA1
SCHEMBL3148652 0.85 KMT2A (0.62) KMT2AKDM4ECA1CA2CA9
SCHEMBL3140673 0.83 KMT2A (0.56) KMT2AKDM4EKCNH3CA1CA2
SCHEMBL3132786 0.83 KMT2A (0.56) KMT2AKDM4EKCNH3CA1CA2

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