SCHEMBL6002793

SCHEMBL6002793

[CH]=CCCCc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
UBE2T Q9NPD8 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
HTR1A P08908 7/20 0.52
HTR7 P34969 7/20 0.52
DRD2 P14416 6/20 0.52
SLC6A4 P31645 3/20 0.52
LMNA P02545 1/20 0.50
PDE10A Q9Y233 1/20 0.50
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
DRD3 P35462 5/20 0.47
HTR2A P28223 5/20 0.47
HTR2C P28335 4/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 3/20 0.47

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
SCHEMBL9641726 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL14960023 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL31596110 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL27509034 0.83 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL6003350 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALOX15HTTUBE2TASIC3
Bromide SCHEMBL11522514 0.81 SMN1; SMN2 (0.66) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL19372016 0.80 UBE2T (0.70) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL1077024 0.80 UBE2T (0.59) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL14835424 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL20358330 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15HTTUBE2TASIC3

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