SCHEMBL28053583

SCHEMBL28053583

CC(N)CC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.56
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
ALDH1A1 P00352 3/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
LMNA P02545 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL14073817 0.86 PLOD2 (0.59) PLOD2F7F3SARM1SIRT2
Nicotinoylalaninenal SCHEMBL8439392 0.82 PLOD2 (0.58) PLOD2F7F3SARM1SIRT2
SCHEMBL27512365 0.82 PLOD2 (0.58) PLOD2F7F3SARM1SIRT2
Nicotinoylalaninenal SCHEMBL20561157 0.82 PLOD2 (0.58) PLOD2F7F3SARM1SIRT2
SCHEMBL20561378 0.81 PLOD2 (0.50) PLOD2F7F3SARM1SIRT2
SCHEMBL27728362 0.81 PLOD2 (0.57) PLOD2F7F3SARM1SIRT2
SCHEMBL6199618 0.81 PLOD2 (0.53) PLOD2F7F3SARM1SIRT2
SCHEMBL27805774 0.80 F7 (0.44) PLOD2F7F3SARM1SIRT2
SCHEMBL28048461 0.80 F7 (0.44) PLOD2F7F3SARM1SIRT2
SCHEMBL10050050 0.80 PLOD2 (0.51) PLOD2F7F3SARM1SIRT2

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
CN-103930421-B 4,5,6,7-tetrahydrochysene-1H-pyrazolo [4,3-c] pyridine that replaces, they are as the purposes of medicine and the pharmaceutical preparation that comprises them 赛诺菲 2016-06-29 CN disclosed