SCHEMBL31339145

SCHEMBL31339145

CCOC(=O)C(=O)C(=CN(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPT P10636 4/20 0.49
▸ HPGD P15428 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL25735405 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8936806 0.91 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19040949 0.91 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL18256858 0.90 MEN1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19041218 0.87 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19041226 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11268835 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11268820 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19041422 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19041212 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A

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-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 — — CN disclosed
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