SCHEMBL29110775

SCHEMBL29110775

COC(=O)c1ccc(Cn2nc(-c3ccc(N)cc3)cc2Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.62
▸ HDAC3 O15379 3/20 0.62
▸ HDAC4 P56524 3/20 0.62
▸ HDAC7 Q8WUI4 3/20 0.62
▸ HDAC2 Q92769 3/20 0.62
▸ HDAC10 Q969S8 3/20 0.62
▸ HDAC11 Q96DB2 3/20 0.62
▸ HDAC8 Q9BY41 3/20 0.62
▸ HDAC6 Q9UBN7 3/20 0.62
▸ HDAC9 Q9UKV0 3/20 0.62
▸ HDAC5 Q9UQL6 3/20 0.62
▸ NCOR2 Q9Y618 3/20 0.62
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 2/20 0.52
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29110822 0.86 HDAC3 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29110824 0.84 HDAC3 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13586958 0.77 MEN1 (0.73) MEN1KMT2APOLBGAARAB9A
SCHEMBL13586959 0.76 MEN1 (0.71) MEN1KMT2APOLBGAARAB9A
SCHEMBL26306785 0.73 SMN1; SMN2 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29110757 0.73 HDAC6 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29110804 0.72 HDAC6 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29606448 0.72 HDAC6 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4245233 0.71 LOXL2 (0.65) GAAMAPTTDP1ALDH1A1HPGD
SCHEMBL7720244 0.71 MAPT (0.51) HDAC1MEN1KMT2APOLBMAPT

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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