SCHEMBL9017939

SCHEMBL9017939

CCCN(/C=N/c1ccncc1OC(=O)N(C)C)CCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL9017940 1.00 NCEH1 (0.34) NCEH1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9017921 0.91 MAPT (0.37) NCEH1ALDH1A1LMNASMN1; SMN2BCHE
SCHEMBL9017917 0.91 MAPT (0.37) NCEH1ALDH1A1LMNASMN1; SMN2BCHE
SCHEMBL9017888 0.90 BCHE (0.35) NCEH1KDM4EALDH1A1HPGDHSD17B10
Maleic Acid SCHEMBL9017929 0.86 MAPT (0.34) NCEH1KDM4EALDH1A1L3MBTL1LMNA
Fumaric Acid SCHEMBL9017933 0.86 MAPT (0.34) NCEH1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL9017941 0.86 NCEH1 (0.37) NCEH1PDE4BLMNABCHEACHE
SCHEMBL9017843 0.85 RAB9A (0.38) NCEH1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9017846 0.85 RAB9A (0.38) NCEH1KDM4EALDH1A1HPGDHSD17B10
Maleic Acid SCHEMBL9017901 0.82 KDM4E (0.34) NCEH1KDM4EL3MBTL1BCHEMAOA

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
EP-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed