SCHEMBL17059672

SCHEMBL17059672

COc1cc(N2CCN(CCF)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.73
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 6/20 0.56
HTR6 P50406 3/20 0.53
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 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
SCHEMBL311305 0.90 SIRT6 (0.62) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL310322 0.89 SIRT6 (0.58) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL310870 0.89 SIRT6 (0.61) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL310468 0.89 SIRT6 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3316399 0.88 SIRT6 (0.73) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL30340499 0.88 SIRT6 (0.73) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL310489 0.88 SIRT6 (0.73) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2226779 0.86 SIRT6 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL30679040 0.86 SIRT6 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL310234 0.85 SIRT6 (0.68) SIRT6ALDH1A1LMNAMAPTHTR6

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-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed