SCHEMBL6002789

SCHEMBL6002789

[CH2]C=CCCc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
PDE10A Q9Y233 1/20 0.50
RAB9A P51151 4/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 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
SCHEMBL6003350 0.91 SMN1; SMN2 (0.55) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL6001358 0.83 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL19372016 0.80 UBE2T (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL6510681 0.80 SMN1; SMN2 (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL31595800 0.80 SMN1; SMN2 (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL17385655 0.80 UBE2T (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL8904885 0.78 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL9641726 0.77 SMN1; SMN2 (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL2047532 0.75 SMN1; SMN2 (0.62) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL6002793 0.74 SMN1; SMN2 (0.57) UBE2TASIC3SMN1; SMN2HTTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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