SCHEMBL9166677

SCHEMBL9166677

N#Cc1cccc(Oc2cccc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
VEGFA P15692 2/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AR P10275 1/20 0.42
MAP4K4 O95819 1/20 0.42
PGR P06401 1/20 0.41
MAOB P27338 4/20 0.41
GRIA2 P42262 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
MAOA P21397 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7075626 0.91 SMN1; SMN2 (0.41) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL8379001 0.88 PDE4A (0.54) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL5787364 0.87 PDE4A (0.49) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL2532878 0.87 CYP19A1 (0.51) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL27839327 0.86 PDE4A (0.53) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL10923033 0.84 PDE4A (0.55) EPAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL23087866 0.84 GRM5 (0.46) EPAS1PDE4APDE4BPDE4CPDE4D
Water SCHEMBL29061097 0.82 PGR (0.55) PDE4APDE4BPDE4CPDE4DSLC6A2
SCHEMBL30358273 0.82 PGR (0.55) PDE4APDE4BPDE4CPDE4DSLC6A2
SCHEMBL7069974 0.82 PDE4A (0.50) EPAS1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649413-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1994001414-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed