SCHEMBL4714751

SCHEMBL4714751

N#CCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
DAO P14920 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5544520 0.81 DAO (0.48) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL549086 0.81 ALDH1A1 (0.44) DAOMEN1KMT2AALDH1A1TSHR
SCHEMBL7038656 0.80 MEN1 (0.59) PDE4APDE4BPDE4CPDE4DDAO
Hydrochloric Acid SCHEMBL16564135 0.79 ALDH1A1 (0.42) DAOMEN1KMT2AALDH1A1TSHR
Iodide SCHEMBL30828284 0.79 ALDH1A1 (0.42) DAOMEN1KMT2AALDH1A1TSHR
SCHEMBL13537015 0.79 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DMEN1
Acetonitrile SCHEMBL28224520 0.77 SLC6A4 (0.43) DAOMEN1KMT2AGPR84ALDH1A1
SCHEMBL6825071 0.77 DAO (0.41) DAOMEN1KMT2AGPR84ALDH1A1
SCHEMBL8764230 0.77 MEN1 (0.64) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3142341 0.76 CA2 (0.41) PDE4APDE4BPDE4CPDE4DMEN1

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-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed