SCHEMBL30741069

SCHEMBL30741069

CCOC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
EIF4E P06730 3/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CACNA1D Q01668 2/20 0.38
PDK2 Q15119 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 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
SCHEMBL30741014 0.90 EIF4E (0.45) KDM4EEIF4EMAPTALDH1A1GAA
SCHEMBL30740948 0.90 EIF4E (0.44) KDM4EEIF4EMAPTALDH1A1GAA
SCHEMBL30740973 0.88 AR (0.48) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL30741043 0.86 KDM4E (0.47) KDM4EEIF4EMAPTALDH1A1GAA
SCHEMBL30741012 0.85 KDM4E (0.52) KDM4EMAPTPDK2MEN1HSP90AA1
SCHEMBL30741020 0.84 AR (0.51) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL30740940 0.83 JAK2 (0.42) KDM4EEIF4EMAPTALDH1A1GAA
SCHEMBL30741061 0.83 L3MBTL1 (0.44) KDM4EMAPTALDH1A1PDK2MEN1
SCHEMBL30741118 0.82 KDM4E (0.42) KDM4EMAPTPDK2MEN1HSP90AA1
SCHEMBL30741051 0.82 KDM4E (0.43) KDM4EMAPTALDH1A1SMN1; SMN2HTT

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