SCHEMBL6003350

SCHEMBL6003350

[CH2]C=CCCCc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
HTR1A P08908 7/20 0.50
HTR7 P34969 7/20 0.50
DRD2 P14416 6/20 0.50
SLC6A4 P31645 3/20 0.50
UBE2T Q9NPD8 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
LMNA P02545 1/20 0.48
PDE10A Q9Y233 1/20 0.48
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
DRD3 P35462 5/20 0.45
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.45
HRH1 P35367 3/20 0.45
HTR2B P41595 3/20 0.45

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
SCHEMBL6002789 0.91 UBE2T (0.53) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL9641726 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL31596110 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL14960023 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL6002793 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL6001358 0.81 UBE2T (0.56) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL2047532 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15HTTHTR1AHTR7
Bromide SCHEMBL11522514 0.79 SMN1; SMN2 (0.66) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL19372016 0.78 UBE2T (0.70) SMN1; SMN2ALOX15HTTHTR1AHTR7
SCHEMBL5537342 0.78 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15HTTHTR1AHTR7

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