SCHEMBL3379666

SCHEMBL3379666

COC(=O)c1cc(-c2cccc(Cl)c2)c2nccn2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
EPHB4 P54760 3/20 0.42
JAK2 O60674 4/20 0.42
SYK P43405 2/20 0.42
SLC6A3 Q01959 4/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH1A3 P47895 1/20 0.41
SLC6A2 P23975 1/20 0.40
SPTLC1 O15269 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA5 P31644 1/20 0.39

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
SCHEMBL20844706 0.83 HTR7 (0.43) HDAC6EPHB4SYKALDH1A2ALDH1A1
SCHEMBL3377871 0.82 MAPK14 (0.46) MAPK14SLC6A3ALDH1A2ALDH1A1ALDH1A3
SCHEMBL7913069 0.80 HDAC6 (0.44) HDAC6EPHB4JAK2CYP3A4
SCHEMBL3377260 0.79 MAPK14 (0.43) MAPK14JAK2SLC6A3SLC6A2GABRA5
SCHEMBL5327078 0.78 MAOB (0.40) SYKALDH1A2ALDH1A1ALDH1A3
SCHEMBL21455694 0.77 BRD4 (0.48) HDAC6EPHB4SPTLC1
SCHEMBL3381952 0.76 MAPK14 (0.43) MAPK14SLC6A3SLC6A2CYP3A4GABRA5
SCHEMBL3377149 0.76 HDAC6 (0.43) HDAC6EPHB4JAK2SPTLC1CYP3A4
SCHEMBL3380305 0.75 HDAC6 (0.44) HDAC6EPHB4JAK2SPTLC1CYP3A4
SCHEMBL25149587 0.73 L3MBTL1 (0.51) SYKALDH1A2ALDH1A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed