SCHEMBL6002916

SCHEMBL6002916

C=CC[CH]c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHAT P28329 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7795350 0.81 RXRA (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6385852 0.80 RXRA (0.47) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL133603 0.78 CHAT (0.46) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6863260 0.78 SIRT2 (0.50) RXRASIRT2SIRT1GRIN2DGRIN3B
SCHEMBL29357296 0.78 SIRT2 (0.50) RXRASIRT2SIRT1GRIN2DGRIN3B
SCHEMBL31610342 0.78 SIRT2 (0.50) RXRASIRT2SIRT1GRIN2DGRIN3B
SCHEMBL14912 0.78 SIRT2 (0.50) RXRASIRT2SIRT1GRIN2DGRIN3B
SCHEMBL5477082 0.78 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5254576 0.77 RXRA (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27328473 0.77 CHAT (0.46) RXRAGRIN2DGRIN3BGRIN1GRIN2A

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