SCHEMBL12993183

SCHEMBL12993183

CN(O)CC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.68
LMNA P02545 1/20 0.56
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL907640 0.84 AOC3 (0.70) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL907809 0.84 AOC3 (0.70) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL804251 0.84 AOC3 (0.70) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL22807616 0.84 AOC3 (0.63) AOC3LMNAHTR2AHRH1SLC6A2
Hydrochloric Acid SCHEMBL7244349 0.83 AOC3 (0.68) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL6284970 0.83 AOC3 (0.68) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL10430789 0.82 AOC3 (0.61) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL6744933 0.81 AOC3 (1.00) AOC3LMNA
SCHEMBL9729386 0.79 AOC3 (0.63) AOC3LMNAHTR2AHRH1SLC6A2
SCHEMBL10297493 0.79 AOC3 (0.63) AOC3LMNAHTR2AHRH1SLC6A2

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
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed