SCHEMBL28636925

SCHEMBL28636925

CC(C)(C)OC(=O)Nc1cccc(Sc2cc[c]cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SYK P43405 1/20 0.39

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
SCHEMBL19853241 0.91 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30040598 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20132386 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5119088 0.82 KAT6A (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9302218 0.81 MAPT (0.59) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL693943 0.80 CYP17A1 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29029431 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22590 0.79 CYP17A1 (0.50) CYP17A1CA1CA12CA9NAMPT
SCHEMBL23953488 0.78 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30150754 0.77 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 — — CN disclosed
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