SCHEMBL28563412

SCHEMBL28563412

Nc1nc2cc(-c3cccc(Cl)c3)ccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ MAPT P10636 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ PIK3CG P48736 2/20 0.54
▸ MAP4K4 O95819 3/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45

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
SCHEMBL30387074 1.00 CYP1A2 (0.68) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL30386387 0.85 MAPT (0.74) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL17267694 0.85 MAPT (0.74) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL12850681 0.85 LMNA (0.66) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL14097677 0.83 GAA (0.65) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL31119195 0.83 GAA (0.65) CYP1A2LMNAMAPTTHRBALOX15
Zoxazolamine SCHEMBL251567 0.81 LMNA (1.00) CYP1A2LMNAMAPTTHRBALOX15
Zoxazolamine SCHEMBL29378757 0.81 LMNA (1.00) CYP1A2LMNAMAPTTHRBALOX15
Zoxazolamine SCHEMBL10891033 0.81 LMNA (1.00) CYP1A2LMNAMAPTTHRBALOX15
SCHEMBL23606777 0.80 SMN1; SMN2 (0.77) CYP1A2LMNAMAPTSMN1; SMN2CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209894-B 5-aryl substituted 2-aminobenzoxazole derivative, preparation method and application thereof 贵州医科大学 2023-06-06 — — CN disclosed
CN-112209894-A 5-aryl substituted 2-aminobenzoxazole derivative, preparation method and application thereof 贵州医科大学 2021-01-12 — — CN disclosed
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