SCHEMBL30106366

SCHEMBL30106366

O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
EIF4E P06730 3/20 0.45
GSK3B P49841 2/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
ATG4B Q9Y4P1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41
PDE2A O00408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 1/20 0.40
GSK3A P49840 1/20 0.40
MAPK14 Q16539 1/20 0.40
MTTP P55157 1/20 0.40
IKBKB O14920 1/20 0.40
PTGER4 P35408 1/20 0.39

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
SCHEMBL27189055 0.97 POLB (0.50) POLBEIF4EGSK3BTHRBLMNA
SCHEMBL29158665 0.95 GSK3B (0.52) POLBEIF4EGSK3BTHRBLMNA
SCHEMBL29158630 0.93 HPGD (0.51) POLBGSK3BTHRBALDH1A1GAA
SCHEMBL29158715 0.91 THRB (0.56) POLBEIF4EGSK3BTHRBLMNA
SCHEMBL30740880 0.91 THRB (0.56) POLBEIF4EGSK3BTHRBLMNA
SCHEMBL29158684 0.89 POLB (0.44) POLBEIF4EGSK3BLMNAALDH1A1
SCHEMBL29158589 0.88 EIF4E (0.45) POLBEIF4EGSK3BLMNAALDH1A1
SCHEMBL29158755 0.88 RAB9A (0.43) POLBEIF4ELMNAALDH1A1GAA
SCHEMBL29158753 0.87 EIF4E (0.44) POLBEIF4ELMNAALDH1A1SMN1; SMN2
SCHEMBL29158587 0.86 TRPV1 (0.46) POLBEIF4ELMNAALDH1A1GAA

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
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed