SCHEMBL6068685

SCHEMBL6068685

Nc1cnn(CC(=O)O)c1N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6068655 0.88 ABL1 (0.31) KDM4ELMNA
SCHEMBL6068718 0.88 KMO (0.36) KMOGAAKDM4EHSD17B10HPGD
SCHEMBL6068761 0.83 GAA (0.39) KMOGAAKDM4EHSD17B10HPGD
SCHEMBL6068734 0.79 KMO (0.31) KMOKDM4E
SCHEMBL6068728 0.79 GAA (0.41) KMOGAAKDM4EHSD17B10HPGD
SCHEMBL6068926 0.75
SCHEMBL6068921 0.75 MAPT (0.33) MAPT
SCHEMBL6068547 0.75 LMNA (0.31) KDM4ELMNA
SCHEMBL6068760 0.75
SCHEMBL1803279 0.74 LMNA (0.43) KMOGAAKDM4EHSD17B10HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed