SCHEMBL9768803

SCHEMBL9768803

O=C(c1cccnc1)C1COCOC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
APP P05067 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC18A3 Q16572 1/20 0.46

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
SCHEMBL29588286 0.82 SLC18A3 (0.45) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL7447435 0.81 SLC18A3 (0.58) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL2427999 0.81 SLC18A3 (0.52) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL9768889 0.80 GAA (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL9187512 0.79 MCL1 (0.44) MAPTMEN1KMT2ASLC18A3HTT
SCHEMBL9665275 0.78 SLC18A3 (0.56) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL8245353 0.78 SLC18A3 (0.56) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL9769052 0.77 F7 (0.40) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL5046019 0.77 SLC18A3 (0.54) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL18239397 0.77 CHRNB2 (0.57) ALDH1A1GAAAPPHCAR3HCAR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed
EP-0080847-A2 Improvements in or relating to the synthesis of dioxane analgesics ELI LILLY AND COMPANY (US) 1983-06-08 EP disclosed
US-4376860-A Pyridyl ketone ELI LILLY AND COMPANY (US) 1983-03-15 US disclosed