SCHEMBL6433461

SCHEMBL6433461

C=CC(=O)NC(C)(C)CCN(C)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6438206 0.85 MEN1 (0.33) MEN1KMT2A
SCHEMBL2558763 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL855675 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL27914054 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL14820451 0.77 ZDHHC20 (0.50) MEN1KMT2AALDH1A1
SCHEMBL19681586 0.77 ZDHHC20 (0.46) MEN1KMT2AALDH1A1
SCHEMBL27988246 0.77 ZDHHC20 (0.50) ALDH1A1
SCHEMBL7115011 0.77 MEN1 (0.44) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL1018029 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL24711859 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159317-B1 NEW BIOMATERIALS COMMW SCIENT IND RES ORG (AU) 2005-02-09 EP disclosed
US-6503958-B2 Porous polymers incorporating dihydroperfluoroalkyl acrylates and methacrylates NOVARTIS AG (CH) 2003-01-07 US disclosed
US-20020103538-A1 Biomaterials HUGHES TIMOTHY CHARLES (AU) 2002-08-01 US disclosed
EP-1192194-A1 PROCESS FOR THE MANUFACTURE OF MOLDINGS Novartis AG (CH) 2002-04-03 EP disclosed
EP-1159317-A1 NEW BIOMATERIALS Novartis AG (CH) 2001-12-05 EP disclosed
US-6255360-B1 FREE RADICAL POLYMERIZATION OF AN ACRYLIC MONOMER HAVING A FLUOROALKYL MOIETY, REMOVING INTERMINGLED SEPARATE SOLVENT PHASE AND AFTERTREATING IN ACIDIC OR BASIC MEDIUM NOVARTIS AG (CH) 2001-07-03 US disclosed
WO-2000078830-A1 PROCESS FOR THE MANUFACTURE OF MOLDINGS NOVARTIS AG (CH) 2000-12-28 WO disclosed
WO-2000049058-A1 NEW BIOMATERIALS NOVARTIS AG (CH) 2000-08-24 WO disclosed