SCHEMBL164803

SCHEMBL164803

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.73
HDAC3 O15379 16/20 0.73
HDAC2 Q92769 16/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC4 P56524 4/20 0.73
NCOR2 Q9Y618 12/20 0.67
HDAC6 Q9UBN7 5/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
TET3 O43151 1/20 0.67
BRD4 O60885 1/20 0.67
FOXO1 Q12778 1/20 0.67
TET2 Q6N021 1/20 0.67
PIK3C3 Q8NEB9 1/20 0.67
TET1 Q8NFU7 1/20 0.67
KCNH2 Q12809 1/20 0.56

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
SCHEMBL12487265 1.00 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3261129 1.00 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL28780671 0.87 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC8HDAC4
Hydrochloric Acid SCHEMBL27745415 0.86 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL19806242 0.85 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL4380126 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL4380122 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL29454794 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL28634425 0.84 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL30255503 0.83 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC8HDAC4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196281-A1 MTAP INHIBITORS FOR THE TREATMENT OF SICKLE CEMTAP DISEASE NANOMETICS LLC (US) 2016-12-08 WO claimed
EP-2032532-A2 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-Ý4-ÝÝÝ2-(2-METHYL-1H-INDOL-3-YL)ETHYL¨AMINO¨METHYL¨PHENYL¨-2E-2-PROPENAMIDE Novartis AG (CH) 2009-03-11 EP claimed
EP-2032533-A2 PROCESS FOR MAKING N-HYDROXY-3-Ý4-ÝÝÝ2-(2-METHYL-1H-INDOL-3-YL)ETHYL¨AMINO¨METHYL¨PHENYL¨-2E-2-PROPENAMIDE AND STARTING MATERIALS THEREFOR Novartis AG (CH) 2009-03-11 EP claimed
EP-2004234-A2 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007146717-A2 PROCESS FOR MAKING SALTS OF N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO]METHYL]PHENYL]-2E-2-PROPENAMIDE NOVARTIS AG (CH) 2007-12-21 WO claimed
WO-2007146718-A2 PROCESS FOR MAKING N-HYDROXY-3-[4-[[[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]AMINO] METHYL]PHENYL]-2E-2-PROPENAMIDE AND STARTING MATERIALS THEREFOR NOVARTIS AG (CH) 2007-12-21 WO claimed
WO-2007115287-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-4281463-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN Pharmaceutica NV (BE) 2023-11-29 EP disclosed
WO-2021113665-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2021-06-10 WO disclosed
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed
EP-2611436-A1 COMBINATION OF HDAC INHIBITORS WITH THROMBOCYTOPENIA DRUGS Novartis AG (CH) 2013-07-10 EP disclosed
CN-103086944-A Process for making n-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2e-2-propenamide and starting materials therefor NOVARTIS AG 2013-05-08 CN disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
EP-1628651-A2 COMBINATION OF HISTONE DEACETYLASE INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS Novartis AG (CH) 2006-03-01 EP disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 WO disclosed
WO-2005013958-A1 HISTONE DEACETYLASE INHIBITORS AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2005-02-17 WO disclosed
WO-2004103358-A2 COMBINATION OF HISTONE DEACETYLASE INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS NOVARTIS AG (CH) 2004-12-02 WO disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 EP disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 WO disclosed