SCHEMBL29666087

SCHEMBL29666087

[2H]C1([2H])CN(C)CC([2H])([2H])N1c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.77
MAPT P10636 5/20 0.77
LMNA P02545 2/20 0.65
RECQL P46063 1/20 0.60
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
HTR6 P50406 4/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29666110 0.90 MAPT (0.70) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL29666080 0.89 MAPT (0.77) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL77148 0.87 SIRT6 (1.00) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL14892360 0.82 SIRT6 (0.89) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL29666078 0.81 SIRT6 (0.82) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL30059159 0.79 LMNA (1.00) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL25877527 0.79 LMNA (0.94) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL3109069 0.79 LMNA (1.00) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL29666126 0.79 GAA (0.53) SIRT6MAPTLMNARECQLALDH1A1
SCHEMBL3381562 0.78 LMNA (0.97) SIRT6MAPTLMNARECQLALDH1A1

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
WO-2022111517-A1 DEUTERIUM-MODIFIED THIENOPYRIDONE COMPOUND 正大天晴药业集团股份有限公司 2022-06-02 WO disclosed