SCHEMBL4373828

SCHEMBL4373828

CNC(=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.70
HDAC4 P56524 3/20 0.70
HDAC1 Q13547 3/20 0.70
HDAC7 Q8WUI4 3/20 0.70
HDAC2 Q92769 3/20 0.70
HDAC10 Q969S8 3/20 0.70
HDAC11 Q96DB2 3/20 0.70
HDAC8 Q9BY41 3/20 0.70
HDAC6 Q9UBN7 3/20 0.70
HDAC9 Q9UKV0 3/20 0.70
HDAC5 Q9UQL6 3/20 0.70
KDM4E B2RXH2 1/20 0.58
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
KCNN4 O15554 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL2844474 0.83 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13270940 0.83 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21688074 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8113597 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5744739 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20622475 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19870991 0.80 KCNN4 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3739537 0.79 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1978837 0.79 POLB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7720891 0.79 HDAC3 (0.66) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121575-A2 LERCANIDIPINE HYDROCHLORIDE POLYMORPHS AND AN IMPROVED PROCESS FOR PREPARATION OF 1,1,N-TRIMETHYL-N-(3,3-DIPHENYLPROPYL)-2-AMINOETHYL ACETOACETATE Actavis Group PTC EHF (IS) 2009-11-25 EP claimed
WO-2008107797-A2 LERCANIDIPINE HYDROCHLORIDE POLYMORPHS AND AN IMPROVED PROCESS FOR PREPARATION OF 1,1,N-TRIMETHYL-N-(3,3-DIPHENYLPROPYL)-2-AMINOETHYL ACETOACETATE ACTAVIS GROUP PTC EHF (IS) 2008-09-12 WO claimed
EP-3424960-A1 POLYMER PRODUCTION METHOD AND RADICAL POLYMERIZATION INITIATING GROUP-CONTAINING COMPOUND Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2019-01-09 EP disclosed
CN-108026230-A Antifouling composition 巴斯夫欧洲公司 2018-05-11 CN disclosed
CN-107922571-A Antifouling composition 巴斯夫欧洲公司 2018-04-17 CN disclosed
EP-1933621-A1 HERBICIDE COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2008-06-25 EP disclosed
WO-2007030887-A1 HERBICIDE COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2007-03-22 WO disclosed
EP-0923288-A1 HERBICIDES BASED ON 4-BROMO-1-METHYL-5-TRIFLUOROMETHYL-3-(2-FLUORO-4-CHLORO-5-ISOPROPOXYCARBONYLPHENYL)PYRAZOLE BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998008383-A1 HERBICIDES BASED ON 4-BROMO-1-METHYL-5-TRIFLUOROMETHYL-3-(2-FLUORO-4-CHLORO-5-ISOPROPOXYCARBONYLPHENYL)PYRAZOLE BAYER AKTIENGESELLSCHAFT (DE) 1998-03-05 WO disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed
CN-87103510-A Substituted pyridine herbicide 1988-01-20 CN disclosed
EP-0248554-A2 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-09 EP disclosed
EP-0009419-B1 AGRICULTURAL SULFONAMIDES, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-02 EP disclosed