SCHEMBL23609809

SCHEMBL23609809

CN(C)C(=O)/C=C/c1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
ATM Q13315 2/20 0.48
LMNA P02545 2/20 0.48
HSP90AA1 P07900 1/20 0.48
STAT3 P40763 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAOB P27338 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PTGS2 P35354 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL29974565 1.00 ALDH1A1 (0.48) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL29972895 0.82 MAPT (0.58) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL28852575 0.81 RAB9A (0.49) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL23609099 0.81 RAB9A (0.49) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL28376851 0.77 MAPT (0.67) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL29975094 0.74 NR3C1 (0.40) ALDH1A1MAPTLMNASTAT3L3MBTL1
SCHEMBL23609105 0.74 NR3C1 (0.40) ALDH1A1MAPTLMNASTAT3L3MBTL1
SCHEMBL31339796 0.73 ERN1 (0.50) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL1619153 0.73 ERN1 (0.50) ALDH1A1MAPTATMLMNAHSP90AA1
SCHEMBL3060879 0.71 ALDH1A1 (0.43) ALDH1A1MAPTATMLMNAHSP90AA1

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-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed