SCHEMBL30740913

SCHEMBL30740913

NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.56
EIF4E P06730 5/20 0.50
CDC7 O00311 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
AURKA O14965 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL29158589 0.85 EIF4E (0.45) IKBKBEIF4EL3MBTL1POLBCYP1A2
SCHEMBL29158703 0.84 EIF4E (0.43) IKBKBEIF4ECDC7L3MBTL1POLB
SCHEMBL21541929 0.84 TARBP2 (0.48) IKBKBEIF4EPOLBCYP1A2CYP2C19
SCHEMBL30740876 0.84 TARBP2 (0.48) IKBKBEIF4EPOLBCYP1A2CYP2C19
SCHEMBL27189100 0.84 EIF4E (0.46) IKBKBEIF4EL3MBTL1POLBKDM4E
SCHEMBL30106366 0.83 POLB (0.53) IKBKBEIF4EPOLBALDH1A1LMNA
SCHEMBL30106375 0.83 EIF4E (0.45) IKBKBEIF4EL3MBTL1POLBCYP1A2
SCHEMBL30741038 0.83 EIF4E (0.48) IKBKBEIF4ECDC7L3MBTL1CYP1A2
SCHEMBL27189055 0.83 POLB (0.50) EIF4EPOLBALDH1A1LMNAGSK3A
SCHEMBL27189072 0.83 EIF4E (0.45) IKBKBEIF4EL3MBTL1POLBMEN1

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