SCHEMBL27665995

SCHEMBL27665995

COc1ccc(OC2CCN(c3c[c]c4ncsc4c3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.46
PDE3A Q14432 15/20 0.46
PDE10A Q9Y233 14/20 0.46
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
FKBP1A P62942 1/20 0.34
FKBP5 Q13451 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL27665985 0.82 PDE3B (0.50) PDE3BPDE3APDE10ANEK2PLK1
SCHEMBL2090870 0.81 PDE3B (0.46) PDE3BPDE3APDE10ANEK2PLK1
SCHEMBL2090873 0.80 PDE3B (0.46) PDE3BPDE3APDE10ANEK2PLK1
SCHEMBL27666002 0.71 PDE3B (0.52) PDE3BPDE3APDE10ANEK2PLK1
SCHEMBL27665828 0.67 TP53 (0.38)
SCHEMBL2089308 0.67 PDE3B (0.53) PDE3BPDE3APDE10A
SCHEMBL2089310 0.67 PDE3B (0.53) PDE3BPDE3APDE10A
SCHEMBL5542091 0.67 CA12 (0.44) PDE3BPDE3APDE10A
SCHEMBL2090153 0.66 ACACB (0.37) ACACB
SCHEMBL2090155 0.65 ACACB (0.37) ACACB

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed