SCHEMBL9367677

SCHEMBL9367677

O=C(O)Oc1ccnc(OC(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.40
P4HTM Q9NXG6 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL9845133 0.95 KMT2A (0.52) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL8782175 0.94 KMT2A (0.54) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9706059 0.88 MEN1 (0.49) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9367697 0.87 KMT2A (0.50) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL246279 0.79 LOXL2 (0.36) KMT2AMEN1ALDH1A1LMNA
Water SCHEMBL8053672 0.77 LOXL2 (0.36) KMT2AMEN1ALDH1A1LMNA
SCHEMBL9573013 0.77 KDM4E (0.36) HSD17B10ALDH1A1MAPK1LMNA
SCHEMBL9517034 0.75 LNPEP (0.44) KMT2AMEN1P4HTML3MBTL1TSHR
SCHEMBL29149631 0.75 PLAU (0.50) KMT2AMEN1ALDH1A1P4HTM
SCHEMBL27989083 0.74 NR4A2 (0.48) KMT2AMEN1ALDH1A1P4HTMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409119-B1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AG (DE) 1994-04-13 EP claimed
EP-0409119-A1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-23 EP claimed
EP-0409119-B1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AG (DE) 1994-04-13 EP disclosed
EP-0409119-A1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-23 EP disclosed