SCHEMBL28869220

SCHEMBL28869220

NC(C(=O)c1cccnc1)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HDAC1 Q13547 2/20 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
HDAC6 Q9UBN7 1/20 0.50
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
FDPS P14324 2/20 0.45

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
SCHEMBL27780057 0.80 F7 (0.62) F7F3SARM1SIRT2SIRT6
SCHEMBL28659975 0.79 F7 (0.60) F7F3SARM1SIRT2SIRT6
SCHEMBL27400771 0.78 TDP1 (0.47) ALDH1A1HDAC1HDAC6LMNAHDAC3
SCHEMBL27259251 0.77 F7 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL5288409 0.76 F7 (0.61) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL3690310 0.75 SIRT2 (0.85) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL3980415 0.75 SIRT2 (0.85) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL29440775 0.75 SIRT2 (0.85) F7F3SARM1SIRT2SIRT6
SCHEMBL14523604 0.75 F7 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL14074316 0.75 F7 (0.55) F7F3SARM1SIRT2SIRT6

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
CN-105814017-B The oxidation of 2 mercapto ethanol 巴斯夫欧洲公司 2019-02-12 CN claimed
CN-105814017-B The oxidation of 2 mercapto ethanol 巴斯夫欧洲公司 2019-02-12 CN disclosed