SCHEMBL30740940

SCHEMBL30740940

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
EIF4E P06730 2/20 0.39
DHODH Q02127 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PDK2 Q15119 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRAF P15056 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL30740948 0.90 EIF4E (0.44) JAK2JAK3EIF4EMAPTALDH1A1
SCHEMBL30741014 0.88 EIF4E (0.45) JAK2JAK3EIF4EMAPTALDH1A1
SCHEMBL30741069 0.83 KDM4E (0.41) JAK2JAK3EIF4EMAPTALDH1A1
SCHEMBL30741043 0.81 KDM4E (0.47) JAK2JAK3EIF4EMAPTALDH1A1
SCHEMBL30740973 0.81 AR (0.48) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL30741000 0.78 JAK2 (0.47) JAK2JAK3MAPTALDH1A1GAA
SCHEMBL29158667 0.76 NPC1 (0.46) EIF4EDHODHMAPTALDH1A1GAA
SCHEMBL276916 0.74 ALDH1A1 (0.44) JAK2JAK3MAPTALDH1A1GAA
SCHEMBL276058 0.74 MAPT (0.47) JAK2JAK3MAPTALDH1A1GAA
SCHEMBL30741118 0.72 KDM4E (0.42) JAK2JAK3DHODHMAPTPDK2

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