SCHEMBL9017878

SCHEMBL9017878

CN(C)C(=O)Oc1cnccc1N=CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL9017874 1.00 GAA (0.37) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9017864 0.91 BCHE (0.38) ALDH1A1KDM4EHSD17B10RAB9ATSHR
SCHEMBL9017860 0.91 BCHE (0.38) ALDH1A1KDM4EHSD17B10RAB9ATSHR
SCHEMBL9017892 0.90 ACHE (0.39) RAB9ATSHRNCEH1
SCHEMBL9017875 0.90 ACHE (0.39) RAB9ATSHRNCEH1
SCHEMBL9017879 0.90 ACHE (0.39) RAB9ATSHRNCEH1
SCHEMBL9017889 0.90 ACHE (0.39) RAB9ATSHRNCEH1
SCHEMBL9017869 0.87 NCEH1 (0.33) ALDH1A1KDM4EHSD17B10RAB9ATSHR
SCHEMBL9017868 0.87 NCEH1 (0.33) ALDH1A1KDM4EHSD17B10RAB9ATSHR
Dimethylcarbate SCHEMBL9680337 0.81 GAA (0.40) GAAALDH1A1HSD17B10MAPTRAB9A

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-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
EP-0477903-A2 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-01 EP disclosed