SCHEMBL1406151

SCHEMBL1406151

COC(=O)C(=CN(C)C)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
APP P05067 1/20 0.30
POLB P06746 2/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL18936339 1.00 MAPT (0.35) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL18936277 0.85 MAPT (0.33) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL18936276 0.85 MAPT (0.33) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL5676238 0.83
SCHEMBL3252848 0.82 MAPT (0.35) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL15790744 0.82 MAPT (0.35) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL365556 0.81 MAPT (0.40) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL1406533 0.81 MAPT (0.37) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL18936292 0.80 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL18936290 0.80 ALDH1A1 (0.33) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178813-A1 METHOD FOR PREPARING HALOGENATED 3-OXOCARBOXYLATES CARRYING A 2-ALKOXYMETHYLIDENE OR A 2-DIALKYLAMINOMETHYLIDENE GROUP BASF SE (DE) 2017-06-14 EP disclosed
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