SCHEMBL28276288

SCHEMBL28276288

COc1ccc(NC2=CC(=O)N(C)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 1.00
▸ ALDH1A1 P00352 9/20 1.00
▸ KDM4E B2RXH2 7/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ APP P05067 1/20 0.54
▸ GAA P10253 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NR1H2 P55055 2/20 0.50
▸ NR1H3 Q13133 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ HPGD P15428 4/20 0.44
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL13318454 0.80 ALDH1A1 (0.66) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL19409875 0.75 MAPT (0.61) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11259763 0.75 ALDH1A1 (0.59) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1459772 0.70 MAPT (1.00) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL39057 0.70 MAPT (1.00) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4688106 0.67 NR1H2 (1.00) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL8467713 0.67 MGLL (0.79) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4603359 0.67 MAPT (0.49) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL14318236 0.67 KDM4E (0.49) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL24430116 0.67 ALDH1A1 (0.53) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2

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-106977524-B A kind of synthetic method of phenanthro- furans and azoles 扬州大学 2019-03-01 — — CN claimed
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