SCHEMBL30740948

SCHEMBL30740948

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.44
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CACNA1D Q01668 2/20 0.38
PDK2 Q15119 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
KDM4E B2RXH2 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL30740940 0.90 JAK2 (0.42) EIF4EHRH2HRH1GAAMAPT
SCHEMBL30741069 0.90 KDM4E (0.41) EIF4EHRH2HRH1GAAMAPT
SCHEMBL30740973 0.87 AR (0.48) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL30741043 0.83 KDM4E (0.47) EIF4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL30741014 0.83 EIF4E (0.45) EIF4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL30741118 0.78 KDM4E (0.42) MAPTPDK2KDM4EJAK2JAK3
SCHEMBL276058 0.76 MAPT (0.47) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL276916 0.76 ALDH1A1 (0.44) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29158750 0.75 EIF4E (0.49) EIF4EHRH2HRH1GAAMAPT
SCHEMBL30741012 0.74 KDM4E (0.52) MAPTPDK2KDM4EJAK2JAK3

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