SCHEMBL31375481

SCHEMBL31375481

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(/C(N)=N/O)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL31628137 1.00 LMNA (0.38) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL20264133 0.87 SMN1; SMN2 (0.48) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL26962078 0.86 HPGD (0.41) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL29796987 0.86 HPGD (0.41) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL31375565 0.86 LMNA (0.54) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL20279961 0.86 LMNA (0.54) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL26962176 0.85 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL31375489 0.83 GAA (0.37) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL29796820 0.82 HDAC1 (0.39) LMNAALDH1A1GAAHDAC1HDAC8
SCHEMBL26962726 0.82 HDAC1 (0.39) LMNAALDH1A1GAAHDAC1HDAC8

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
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