SCHEMBL9367679

SCHEMBL9367679

COCCCNC(=O)Oc1cc(OC(=O)O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
LOX P28300 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9706010 0.95 HPGD (0.44) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL9572972 0.93 LOXL2 (0.46) HPGDLOXLOXL2NPC1RAB9A
SCHEMBL9572913 0.89 ALDH1A1 (0.43) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL9706016 0.88 ALDH1A1 (0.43) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL9706102 0.88 LOXL2 (0.46) HPGDLOXLOXL2NPC1RAB9A
SCHEMBL8782005 0.87 ALDH1A1 (0.43) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL9354128 0.86 LOXL2 (0.48) HPGDLOXLOXL2
SCHEMBL9706023 0.80 LOXL2 (0.46) HPGDLOXLOXL2SMN1; SMN2
SCHEMBL9566818 0.79 ALDH1A1 (0.44) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL8781962 0.79 LOXL2 (0.47) HPGDALDH1A1HTTLOXLOXL2

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 2 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 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