SCHEMBL6001348

SCHEMBL6001348

[CH2]C(C)=Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6027912 0.83 KDM4E (0.54) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL28257775 0.82 KDM4E (0.57) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL19143055 0.81 KDM4E (0.53) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL31172233 0.80 KDM4E (0.51) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL10501381 0.77 KDM4E (0.49) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL10501367 0.77 KDM4E (0.49) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL10649027 0.77 KDM4E (0.53) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL22325527 0.77 KDM4E (0.45) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL22325528 0.77 KDM4E (0.45) KDM4EMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL10501625 0.77 KDM4E (0.53) KDM4EMTNR1AMTNR1BPTGS1PTGS2

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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed