SCHEMBL11515809

SCHEMBL11515809

CNC(=O)N1CCc2[nH]cnc2C1c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
ADORA2B P29275 5/20 0.33
TP53 P04637 1/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11519430 0.89 AOC3 (0.44) AOC3ALDH1A1HPGDADORA2BSRC
SCHEMBL11516126 0.87 AOC3 (0.37) AOC3ALDH1A1HPGDMAPTKDM4E
SCHEMBL11515027 0.83 AOC3 (0.47) AOC3KDM4ESMN1; SMN2
SCHEMBL11518652 0.79 AOC3 (0.40) AOC3ALDH1A1HPGDMEN1HTT
SCHEMBL11516165 0.74 AOC3 (0.43) AOC3ALDH1A1MAPTKDM4EMEN1
SCHEMBL11516529 0.72 AOC3 (0.51) AOC3MEN1KMT2A
SCHEMBL11515890 0.71 AOC3 (0.39) AOC3ALDH1A1KDM4E
SCHEMBL11517973 0.70 AOC3 (0.46) AOC3ALDH1A1MAPTNPSR1
SCHEMBL11515083 0.69 RAB9A (0.44) AOC3ALDH1A1LMNAMAPTKDM4E
SCHEMBL11517524 0.69 TRPM8 (0.45) AOC3

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed