SCHEMBL25083060

SCHEMBL25083060

COC(=O)c1cc2nn(C)cc2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SIRT6 Q8N6T7 1/20 0.46
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.38
MITF O75030 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL30390435 0.85 MAPT (0.52) MAPTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL17785199 0.81 IRAK4 (0.44) SIRT6L3MBTL1PDGFRBFGFR1PDGFRA
SCHEMBL26351317 0.80 SIRT6 (0.38) MAPTSIRT6POLBALDH1A1L3MBTL1
SCHEMBL20606477 0.79 IRAK4 (0.55) SIRT6
SCHEMBL31600539 0.79 KMT2A (0.40) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL24338715 0.79 MAOA (0.44) MAPTALDH1A1KDM4EKMT2AMAOA
SCHEMBL25083065 0.79 KDM4E (0.47) MAPTALDH1A1KDM4E
SCHEMBL22836621 0.78 KMT2A (0.45) MAPTSIRT6ALDH1A1PDGFRBFGFR1
SCHEMBL20606398 0.78 IRAK4 (0.44) SIRT6
SCHEMBL31714324 0.78 JAK2 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A

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-117813006-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-04-02 CN disclosed
WO-2023021020-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2023-02-23 WO disclosed