SCHEMBL28834826

SCHEMBL28834826

COC(=O)c1cc2c(ccn2-c2ccc(=O)n(C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
DGAT1 O75907 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.33
NPC1 O15118 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL29267729 0.83 SIRT6 (0.47) SIRT6GAARXFP1ALDH1A1MAPT
SCHEMBL28834853 0.83 DGAT1 (0.41) DGAT1GAAALDH1A1MAPTKDM4E
SCHEMBL30184037 0.73 KDM4E (0.47) SIRT6ALDH1A1MAPTTDP1MAPK1
SCHEMBL23578505 0.73 KDM4E (0.47) SIRT6ALDH1A1MAPTTDP1MAPK1
SCHEMBL2916543 0.72 MAPT (0.54) SIRT6GAARXFP1ALDH1A1MAPT
SCHEMBL30514048 0.69 MAPT (0.45) GAARXFP1ALDH1A1MAPTLMNA
SCHEMBL25389703 0.69 MAPT (0.45) GAARXFP1ALDH1A1MAPTLMNA
SCHEMBL5624516 0.69 SIRT6 (0.58) SIRT6RXFP1ALDH1A1MAPTTDP1
SCHEMBL28834792 0.68 SIRT6 (0.42) SIRT6GAAALDH1A1MAPTTDP1
SCHEMBL4677098 0.67 TDP1 (0.49) SIRT6ALDH1A1MAPTTDP1MAPK1

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-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed