SCHEMBL28966263

SCHEMBL28966263

COc1cc(C(=O)C=CN(C)C)c(OC(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NNMT P40261 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ GAA P10253 4/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL23147047 0.75 MAPT (0.39) MAPTLMNANNMTALDH1A1HPGD
SCHEMBL23147051 0.75 MAPT (0.39) MAPTLMNANNMTALDH1A1HPGD
SCHEMBL18013429 0.75 MAPT (0.50) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL25339663 0.71 NNMT (0.47) NNMTALDH1A1SIRT6KMT2AGAA
SCHEMBL14905497 0.71 MAPT (0.36) MAPTLMNANNMTALDH1A1HPGD
SCHEMBL29764694 0.71 MAPT (0.36) MAPTLMNANNMTALDH1A1HPGD
SCHEMBL20798617 0.69 MAPT (0.44) MAPTLMNAALDH1A1HPGDTDP1
SCHEMBL22712739 0.69 NPC1 (0.40) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL22712738 0.69 NPC1 (0.40) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL20798621 0.68 HTT (0.48) MAPTLMNAALDH1A1HPGDHTT

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 — — CN disclosed
CN-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 — — CN disclosed
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