SCHEMBL8781981

SCHEMBL8781981

C[C@H](N)C(=O)NC(=O)Oc1ccnc(OC(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CARM1 Q86X55 3/20 0.32
PRMT6 Q96LA8 3/20 0.32
XIAP P98170 3/20 0.32
BIRC2 Q13490 2/20 0.32
RIOK2 Q9BVS4 1/20 0.32
LTA4H P09960 1/20 0.32
HCRTR1 O43613 5/20 0.32
HCRTR2 O43614 5/20 0.32
CIT O14578 1/20 0.31
LNPEP Q9UIQ6 2/20 0.31

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
SCHEMBL9572453 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL8782191 0.77 ACHE (0.43) MEN1KMT2A
SCHEMBL9668871 0.77 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL8781962 0.73 LOXL2 (0.47) ALDH1A1
SCHEMBL8782221 0.72 SMN1; SMN2 (0.37)
SCHEMBL8782005 0.72 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL15881349 0.71 MEN1 (0.48) MEN1KMT2A
SCHEMBL28941045 0.70 MEN1 (0.41) MEN1KMT2ALNPEP
SCHEMBL28459807 0.70 KMT2A (0.44) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL9568958 0.70 AAK1 (0.38) MEN1KMT2AALDH1A1RIOK2

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-0504799-B1 Mixted pyridine-2,4- and 2,5-dicarboxylic acid diamides, process for their preparation, their use as well as medicaments based on these compounds HOECHST AG (DE) 1997-07-02 EP disclosed
EP-0504799-A1 Mixted pyridine-2,4- and 2,5-dicarboxylic acid diamides, process for their preparation, their use as well as medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-23 EP disclosed