SCHEMBL6002399

SCHEMBL6002399

CCOCC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 2/20 0.64
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
EPHX2 P34913 1/20 0.59
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.54
ATM Q13315 1/20 0.54
XBP1 P17861 1/20 0.54

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
SCHEMBL2090981 0.85 KMT2A (0.66) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2056317 0.84 EPHX2 (0.67) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2090978 0.82 EPHX2 (0.63) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9842921 0.82 EPHX2 (0.63) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL19785093 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL19721129 0.81 POLB (0.75) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2535860 0.80 EPHX2 (0.65) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL19721197 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL2092931 0.80 EPHX2 (0.69) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2092934 0.80 EPHX2 (0.69) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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