SCHEMBL6003706

SCHEMBL6003706

c1ccc(OCn2cncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP19A1 P11511 1/20 0.55
TP53 P04637 4/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HTT P42858 1/20 0.48
HSP90AA1 P07900 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL11199645 0.82 SMN1; SMN2 (0.50) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL8995367 0.80 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL8995372 0.80 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL9427964 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL9427971 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3035852 0.75 CYP19A1 (0.61) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL10701931 0.74 CYP19A1 (0.50) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL10924196 0.74 EGLN3 (0.54) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL10838654 0.73 HSP90AA1 (0.61) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3235402 0.73 NPC1 (0.72) ALDH1A1KDM4EMAPTLMNAMEN1

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