SCHEMBL4380126

SCHEMBL4380126

Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC3 O15379 15/20 1.00
HDAC8 Q9BY41 5/20 1.00
HDAC4 P56524 4/20 1.00
NCOR2 Q9Y618 11/20 0.81
HDAC6 Q9UBN7 5/20 0.81
HDAC7 Q8WUI4 2/20 0.81
HDAC10 Q969S8 2/20 0.81
HDAC11 Q96DB2 2/20 0.81
HDAC9 Q9UKV0 2/20 0.81
HDAC5 Q9UQL6 2/20 0.81
TET3 O43151 1/20 0.81
BRD4 O60885 1/20 0.81
FOXO1 Q12778 1/20 0.81
TET2 Q6N021 1/20 0.81
PIK3C3 Q8NEB9 1/20 0.81
TET1 Q8NFU7 1/20 0.81
KCNH2 Q12809 2/20 0.63

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
SCHEMBL4380122 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL29454794 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL31087946 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL4349158 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL30255503 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL4349156 0.91 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL11892323 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC8HDAC4
Hydrochloric Acid SCHEMBL19743942 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC8HDAC4
Panobinostat SCHEMBL164801 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4
Panobinostat SCHEMBL22773814 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117598-A2 FORMULATIONS OF DEACETYLASE INHIBITORS Novartis AG (CH) 2009-11-18 EP claimed
WO-2008086330-A2 FORMULATIONS OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2008-07-17 WO claimed
CN-118475356-A Drug conjugates of saccharide derivatives and their use as senescent cell lysing agents 鲁贝多生命科学公司 2024-08-09 CN disclosed
EP-4380575-A1 DRUG CONJUGATES OF SUGAR DERIVATIVES AND USES THEREOF AS SENOLYTIC AGENTS Rubedo Life Sciences, Inc. (US) 2024-06-12 EP disclosed
WO-2023039600-A1 DRUG CONJUGATES OF SUGAR DERIVATIVES AND USES THEREOF AS SENOLYTIC AGENTS Rubedo Life Sciences, Inc. (US) 2023-03-16 WO disclosed