SCHEMBL30741014

SCHEMBL30741014

CCOC(=O)c1c[nH]c(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
BRAF P15056 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PDK2 Q15119 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30741069 0.90 KDM4E (0.41) EIF4EKDM4EALDH1A1GAAMAPT
SCHEMBL30740940 0.88 JAK2 (0.42) EIF4EKDM4EALDH1A1GAAMAPT
SCHEMBL30741043 0.84 KDM4E (0.47) EIF4EKDM4EALDH1A1GAAHPGD
SCHEMBL30740948 0.83 EIF4E (0.44) EIF4EKDM4EALDH1A1GAAMAPT
SCHEMBL30740973 0.82 AR (0.48) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL30740997 0.80 KDM4E (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL30741115 0.78 MAPT (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29158709 0.76 EIF4E (0.48) EIF4EKDM4EALDH1A1GAAHPGD
SCHEMBL29551770 0.75 CDC7 (0.54) EIF4EALDH1A1GAAMAPTMEN1
SCHEMBL30741012 0.75 KDM4E (0.52) KDM4EMAPTMEN1KMT2AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed