SCHEMBL9017917

SCHEMBL9017917

CCCCCCN(/C=N/c1ccncc1OC(=O)N(C)C)CCCCCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NCEH1 Q6PIU2 3/20 0.35
LMNA P02545 5/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.33
NAAA Q02083 1/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 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
SCHEMBL9017921 1.00 MAPT (0.37) MAPTNCEH1LMNAHTTALDH1A1
Maleic Acid SCHEMBL9017929 0.95 MAPT (0.34) MAPTNCEH1LMNAHTTALDH1A1
SCHEMBL9017939 0.91 NCEH1 (0.34) NCEH1LMNAALDH1A1SMN1; SMN2BCHE
SCHEMBL9017940 0.91 NCEH1 (0.34) NCEH1LMNAALDH1A1SMN1; SMN2BCHE
SCHEMBL9017932 0.89 MAPT (0.31) MAPT
SCHEMBL9017888 0.86 BCHE (0.35) NCEH1LMNAALDH1A1SMN1; SMN2BCHE
Dimethylcarbate SCHEMBL9681187 0.80 MAPT (0.36) MAPTLMNAHTTALDH1A1POLB
Dimethylcarbate SCHEMBL9681182 0.80 MAPT (0.36) MAPTLMNAHTTALDH1A1POLB
SCHEMBL9017925 0.78 MAPT (0.35) MAPTLMNAHTTALDH1A1POLB
SCHEMBL9017927 0.78 MAPT (0.35) MAPTLMNAHTTALDH1A1POLB

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