SCHEMBL27645259

SCHEMBL27645259

Cc1cc(C)c(C2CCN(c3cc4ncccc4cc3Oc3cc4cccnc4cc3N3CCC(c4c(C)cc(C)cc4C)CC3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HTR1A P08908 4/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE10A Q9Y233 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MAT2A P31153 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRM5 P08912 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
SCHEMBL27645262 0.85 ALDH1A1 (0.37) HTR1AALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL2090809 0.70 MTOR (0.39) LMNAEPHX2
SCHEMBL15275374 0.68 NCF1 (0.46) PDGFRBPDGFRAPDE10AALDH1A1MAPT
SCHEMBL15275373 0.68 IRAK4 (0.46) PDGFRBPDGFRAPDE10AALDH1A1MAPT
SCHEMBL30152773 0.66 PDGFRB (0.62) PDGFRBPDGFRAPDE3BPDE3APDE10A
SCHEMBL244602 0.65 PDGFRB (0.77) PDGFRBPDGFRAPDE10AALDH1A1LMNA
SCHEMBL2091521 0.64 CHEK2 (0.42) PDE10AALDH1A1
SCHEMBL2091518 0.64 CXCR4 (0.43) PDE10A
SCHEMBL8404544 0.64 ALDH1A1 (0.61) PDGFRBPDGFRAALDH1A1LMNAMAPT
SCHEMBL31186675 0.64 ALDH1A1 (0.61) PDGFRBPDGFRAALDH1A1LMNAMAPT

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