SCHEMBL29265062

SCHEMBL29265062

CCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(C(=O)NCCCCCCC(=O)NO)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.52
▸ MEN1 O00255 10/20 0.52
▸ KMT2A Q03164 10/20 0.52
▸ GAA P10253 6/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CFTR P13569 1/20 0.52
▸ ALDH1A1 P00352 8/20 0.51
▸ HPGD P15428 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HTT P42858 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ PI4KB Q9UBF8 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL29265051 0.97 MAPT (0.51) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29265077 0.91 MAPT (0.51) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29265059 0.89 HDAC1 (0.46) HDAC1HDAC2PI4KB
SCHEMBL29265068 0.85 MEN1 (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29265072 0.80 MAPT (0.53) MAPTMEN1KMT2AGAASMN1; SMN2
Butyric Acid SCHEMBL29265074 0.80 MAPT (0.53) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL30792220 0.78 PI4KB (0.60) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29265063 0.78 PIK3CD (0.59) PI4KB
SCHEMBL29265052 0.77 PIK3CD (0.49) PI4KB
SCHEMBL30997394 0.76 PI4KB (0.59) MAPTMEN1KMT2AGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 — — CN claimed
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 — — CN disclosed
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