SCHEMBL5069202

SCHEMBL5069202

CC(CC(=O)c1cccnc1)N(C)N=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.48
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
ALDH1A1 P00352 4/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 2/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
TP53 P04637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL18106041 0.80 PLOD2 (0.47) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL28053583 0.79 PLOD2 (0.56) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL14073817 0.79 PLOD2 (0.59) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL165418 0.76 HTT (0.45) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL27512365 0.75 PLOD2 (0.58) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL608117 0.75 PLOD2 (0.45) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL6199618 0.74 PLOD2 (0.53) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL27728362 0.74 PLOD2 (0.57) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL454516 0.72 HDAC1 (0.53) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL29367901 0.72 HDAC1 (0.53) PLOD2PLOD3PLOD1ALDH1A1APP

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
US-20080289059-A1 Methods for developing animal models NOMURA TATSUJI 2008-11-20 US disclosed
US-20070204354-A1 Integrated in vivo animal experimentation systems CENTER FOR THE ADVANCEMENT OF HEALTH AND BIOCIENCES 2007-08-30 US disclosed