SCHEMBL29110822

SCHEMBL29110822

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.58
▸ HDAC4 P56524 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC11 Q96DB2 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58
▸ NCOR2 Q9Y618 2/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ POLB P06746 2/20 0.48
▸ AR P10275 1/20 0.48
▸ ALKBH5 Q6P6C2 2/20 0.48
▸ GAA P10253 1/20 0.44

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
SCHEMBL29110775 0.86 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29110824 0.77 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13586958 0.74 MEN1 (0.73) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL13586959 0.73 MEN1 (0.71) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL7726400 0.73 MAPT (0.68) HDAC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6728566 0.71 MAPT (0.52) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL3021443 0.70 POLB (0.73) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL13240465 0.70 LOXL2 (0.55) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL7720288 0.70 MAPT (0.66) HDAC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29110757 0.70 HDAC6 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2

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
Send feedback