SCHEMBL5013367

SCHEMBL5013367

[CH2]OCCCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
MTNR1A P48039 2/20 0.43
SIGMAR1 Q99720 3/20 0.42
CYP2D6 P10635 1/20 0.42
KCNA3 P22001 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCL1 Q07820 1/20 0.40

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
SCHEMBL2092985 0.98 NQO2 (0.44) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL2094192 0.95 NQO2 (0.46) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL3779748 0.87 CYP1A2 (0.48) NQO2CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL9800436 0.84 CYP1A2 (0.58) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL5013370 0.82 CYP1A2 (0.46) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL2092694 0.81 SIGMAR1 (0.42) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL2092988 0.81 CYP1A2 (0.44) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL5830948 0.80 GPR84 (0.59) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL134471 0.79 CYP1A2 (0.48) NQO2GPR84CYP1A2CYP2C19CYP2C9
SCHEMBL5538684 0.78 MTNR1A (0.42) NQO2GPR84CYP1A2CYP2C19CYP2C9

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 5 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
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP 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