SCHEMBL9306766

SCHEMBL9306766

COC(=O)CN(CC(=O)OC)Cc1cc(C(=O)c2cccc([N+](=O)[O-])c2)cc(CN(CC(=O)OC)CC(=O)OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
ACHE P22303 1/20 0.45
GFER P55789 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL9309137 0.82 PBRM1 (0.46) ALDH1A1ACHENPC1
SCHEMBL10533234 0.79 CYP2D6 (0.62) ALDH1A1MAPTACHEMEN1KMT2A
SCHEMBL9306776 0.77 MAPT (0.47) ALDH1A1MAPTCES2CES1MEN1
SCHEMBL12310918 0.76 ALDH1A1 (0.52) ALDH1A1MAPTCES2CES1MEN1
SCHEMBL8720282 0.75 MEN1 (0.58) ALDH1A1MAPTACHECES2CES1
SCHEMBL181572 0.74 CES2 (0.78) ALDH1A1MAPTCES2CES1MEN1
SCHEMBL10539201 0.73 KMT2A (0.62) ALDH1A1MAPTCES2CES1MEN1
SCHEMBL11593026 0.72 CES2 (0.76) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL13619886 0.72 ERN1 (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7911565 0.72 MEN1 (0.64) ALDH1A1MAPTCES2CES1MEN1

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
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed