SCHEMBL3144685

SCHEMBL3144685

CN(C(=O)O)c1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA1A P35348 1/20 0.40
PRMT1 Q99873 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL284282 0.84 PRMT1 (0.52) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL3135531 0.84 PRMT1 (0.52) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL8501601 0.84 PRMT1 (0.52) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL8971820 0.82 KMT2A (0.42) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL16331021 0.82 PRMT1 (0.50) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL8972356 0.82 PRMT1 (0.50) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL3148784 0.82 KMT2A (0.52) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL15402298 0.82 KMT2A (0.46) KMT2AKCNH3
SCHEMBL3140673 0.81 KMT2A (0.56) KMT2AKDM4EADRA1APRMT1ALDH1A1
SCHEMBL3132786 0.81 KMT2A (0.56) KMT2AKDM4EADRA1APRMT1ALDH1A1

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 6 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