SCHEMBL6001350

SCHEMBL6001350

C=CC[CH]c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
UBE2T Q9NPD8 1/20 0.44

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
SCHEMBL8904881 0.81 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL719081 0.81 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1ALDH1A1
Iodide SCHEMBL8929776 0.79 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9634629 0.79 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1306077 0.78 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL288476 0.75 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6001354 0.74 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9111400 0.74 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1ALDH1A1
Pyrene SCHEMBL28845423 0.74 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28327901 0.73 MEN1 (0.51) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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