SCHEMBL29605449

SCHEMBL29605449

O=C(NO)c1ccc(Cn2nc(-c3ccc4c(c3)nnn4C3CC3)cc2Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.63
▸ HDAC3 O15379 7/20 0.63
▸ HDAC4 P56524 7/20 0.63
▸ HDAC1 Q13547 7/20 0.63
▸ HDAC7 Q8WUI4 7/20 0.63
▸ HDAC2 Q92769 7/20 0.63
▸ HDAC10 Q969S8 7/20 0.63
▸ HDAC11 Q96DB2 7/20 0.63
▸ HDAC8 Q9BY41 7/20 0.63
▸ HDAC9 Q9UKV0 7/20 0.63
▸ HDAC5 Q9UQL6 7/20 0.63
▸ NCOR2 Q9Y618 7/20 0.63
▸ HCAR3 P49019 4/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL29110774 1.00 HDAC6 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110768 0.89 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605823 0.89 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605357 0.87 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110753 0.87 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110792 0.86 HDAC6 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605505 0.86 HDAC6 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606039 0.86 HDAC6 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110809 0.86 HDAC6 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606410 0.83 HDAC6 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7

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-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 — — CN disclosed
CN-114621194-A 4-methylene-N-hydroxybenzamide compound and application thereof 沈阳药科大学 2022-06-14 — — CN disclosed
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