SCHEMBL30532598

SCHEMBL30532598

CN1CCN(c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.75
MAPT P10636 2/20 0.75
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 1/20 0.69
HTR6 P50406 7/20 0.63
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL27997682 1.00 SIRT6 (0.75) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL30900326 0.87 SIRT6 (0.67) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL1527190 0.87 SIRT6 (0.67) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL170932 0.87 HPGD (0.75) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL23124217 0.86 SIRT6 (0.58) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL2910036 0.86 SIRT6 (0.69) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL520215 0.86 SIRT6 (0.69) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL77148 0.86 SIRT6 (1.00) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL6978950 0.86 SIRT6 (0.65) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL24267633 0.86 SIRT6 (0.69) SIRT6MAPTMAPK1L3MBTL1ALDH1A1

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-111606888-B Pyrrole derivative and preparation method and application thereof 中国药科大学 2023-08-18 CN disclosed