SCHEMBL7474028

SCHEMBL7474028

CCOC(C)OCC.CN(C)Cc1ccccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A3 Q01959 7/20 0.38
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL29957257 0.84 LMNA (0.48) SLC6A4SLC6A2SLC6A3LMNAMEN1
SCHEMBL3150352 0.84 LMNA (0.48) SLC6A4SLC6A2SLC6A3LMNAMEN1
Ortho-Phthalaldehyde SCHEMBL2474511 0.82 LMNA (0.52) LMNAMEN1THRBBLMKMT2A
SCHEMBL10736369 0.79 LMNA (0.38) LMNAMEN1THRBBLMKMT2A
Ethylene SCHEMBL8381763 0.77 LMNA (0.33) LMNAMEN1THRBBLMKMT2A
SCHEMBL11323911 0.75 LMNA (0.40) LMNAMEN1THRBBLMKMT2A
SCHEMBL6918730 0.75 LMNA (0.40) LMNAMEN1THRBBLMKMT2A
Salicyladehyde SCHEMBL6903346 0.75 TRIM24 (0.60) LMNAMEN1THRBBLMKMT2A
SCHEMBL3905460 0.75 LMNA (0.40) LMNAMEN1THRBBLMKMT2A
SCHEMBL7568179 0.75 MEN1 (0.43) LMNAMEN1KMT2ATDP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994870-A4 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM (US) 2002-10-23 EP disclosed
EP-0994870-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS Smithkline Beecham (US) 2000-04-26 EP disclosed
WO-1998057966-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 WO disclosed