SCHEMBL1406533

SCHEMBL1406533

COC(=O)C(=CN(C)C)C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APP P05067 1/20 0.30
POLB P06746 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15790744 0.82 MAPT (0.35) MAPTTDP1CYP2C9MEN1GAA
SCHEMBL3252848 0.82 MAPT (0.35) MAPTTDP1CYP2C9MEN1GAA
SCHEMBL365556 0.81 MAPT (0.40) MAPTTDP1CYP2C9MEN1GAA
SCHEMBL1406151 0.81 MAPT (0.35) MAPTTDP1MEN1GAAKMT2A
SCHEMBL18936339 0.81 MAPT (0.35) MAPTTDP1MEN1GAAKMT2A
SCHEMBL1406284 0.80 CYP2C9 (0.51) MAPTTDP1CYP2C9MEN1GAA
SCHEMBL1406206 0.80
SCHEMBL18936276 0.78 MAPT (0.33) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL18936277 0.78 MAPT (0.33) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL15779334 0.77 CYP2C9 (0.33) MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458670-B1 METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES SALTIGO GMBH (DE) 2011-03-09 EP disclosed
EP-1458670-A1 METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES Bayer Chemicals AG (DE) 2004-09-22 EP disclosed
US-6706911-B1 REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
WO-2003051820-A1 METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES BAYER CHEMICALS AG (DE) 2003-06-26 WO disclosed