SCHEMBL4654636

SCHEMBL4654636

COc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.82
HDAC1 Q13547 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
NLRP3 Q96P20 3/20 0.73

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
SCHEMBL8261934 0.91 DNMT3A (0.84) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1144104 0.91 DNMT3A (0.75) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL29808416 0.90 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1144242 0.90 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11358623 0.90 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL18029599 0.90 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1144106 0.90 DNMT3A (0.73) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL21586535 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL7026343 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL7029521 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637519-B1 Crystalline forms of the sodium salt of 5-chloro-2-methoxy-N-(2-(4-methoxy-3-methylaminothiocarbonylaminosulfonylphenyl)ethyl)benzamide SANOFI AVENTIS DEUTSCHLAND (DE) 2008-11-12 EP disclosed
EP-1637519-A1 Crystalline forms of the sodium salt of 5-chloro-2-methoxy-N-(2-(4-methoxy-3-methylaminothiocarbonylaminosulfonylphenyl)ethyl)benzamide Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
EP-1173418-B1 CRYSTALLINE FORM 3 OF THE SODIUM SALT OF 5- CHLORO -2- METHOXY -N- (2- (4-METHOXY -3- METHYL AMINOTHIO CARBONYLAMINO SULFONYLPHENYL) ETHYL) BENZAMIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2005-11-30 EP disclosed
US-6723751-B1 INDIVIDUAL POLYMORPHIC FORMS OF CRYSTALLINE SODIUM SALT HAVING SPECIFIED X-RAY DIFFRACTION SPECTRA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-04-20 US disclosed
EP-1173418-A1 CRYSTALLINE FORMS OF THE SODIUM SALT OF 5- CHLORO -2- METHOXY -N- (2- (4-METHOXY -3- METHYL AMINOTHIO CARBONYLAMINO SULFONYLPHENYL) ETHYL) BENZAMIDE Aventis Pharma Deutschland GmbH (DE) 2002-01-23 EP disclosed
WO-2000063167-A1 CRYSTALLINE FORMS OF THE SODIUM SALT OF 5- CHLORO -2- METHOXY -N- (2- (4-METHOXY -3- METHYL AMINOTHIO CARBONYLAMINO SULFONYLPHENYL) ETHYL) BENZAMIDE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-10-26 WO disclosed