SCHEMBL9016170

SCHEMBL9016170

O=C1OCCCC1C(=O)c1cccnc1.[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
GAA P10253 4/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42

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
SCHEMBL9016165 0.99 KDM4E (0.50) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL9016167 0.97 KDM4E (0.49) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL10168711 0.90 KMT2A (0.52) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL29287392 0.80 MCL1 (0.57) MAPTL3MBTL1ALDH1A1HTTGAA
SCHEMBL10354365 0.78 MCL1 (0.59) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL1720721 0.77 MCL1 (0.67) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL7239882 0.75 L3MBTL1 (0.50) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL31236155 0.75 MCL1 (0.60) MAPTL3MBTL1ALDH1A1HTTGAA
SCHEMBL9435566 0.74 L3MBTL1 (0.49) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL29588286 0.74 SLC18A3 (0.45) MEN1KMT2AKDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530134-A Synthesis of anabaseine, salts and derivatives thereof SYNPHAR LABORATORIES INC. (CA) 1996-06-25 US claimed
JP-8176109-A None JP disclosed
JP-H08176109-A SYNTHESIS OF ANABASEINE, SALT AND DERIVATIVE THEREOF, AND PRODUCT AND INTERMEDIATE SYNPHAR LAB INC 1996-07-09 JP disclosed
US-5530134-A Synthesis of anabaseine, salts and derivatives thereof SYNPHAR LABORATORIES INC. (CA) 1996-06-25 US disclosed
US-5530134-A Synthesis of anabaseine, salts and derivatives thereof SYNPHAR LABORATORIES INC. (CA) 1996-06-25 US disclosed