SCHEMBL1033933

SCHEMBL1033933

CC(C(=O)N(C)C)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 2/20 0.33
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
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
SCHEMBL8260208 1.00 ALDH1A1 (0.36) ALDH1A1MAPTTSHRCHRNB2CHRNA4
SCHEMBL1615940 0.89 TP53 (0.35) ALDH1A1MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL14645860 0.75 ALDH1A1 (0.33) ALDH1A1MAPTTSHRCHRNB2CHRNA4
SCHEMBL282872 0.73
SCHEMBL18762846 0.73 CHRNB2 (0.32) ALDH1A1TSHRCHRNB2CHRNA4CHRNB4
SCHEMBL14303406 0.73 TSHR (0.32) TSHR
SCHEMBL13033876 0.73
SCHEMBL26343506 0.73 L3MBTL1 (0.33) ALDH1A1MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL754117 0.71
SCHEMBL10371471 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-20230406986-A1 SOLVENT FOR RESIN SYNTHESIS AND METHOD FOR PRODUCING SYNTHETIC RESIN USING SAID SOLVENT KJ CHEMICALS CORPORATION (JP) 2023-12-21 US disclosed
EP-4212574-A1 SOLVENT FOR RESIN SYNTHESIS AND METHOD FOR PRODUCING SYNTHETIC RESIN USING SAID SOLVENT KJ Chemicals Corporation (JP) 2023-07-19 EP disclosed
CN-116075537-A Solvent for resin synthesis and method for producing synthetic resin using the same 科巨希化学股份有限公司 2023-05-05 CN disclosed
CN-112266332-B System and process for continuously synthesizing 3- (N, N-dimethylamino) -N, N-dimethylpropionamide without catalyst 山东瑞博龙化工科技股份有限公司 2022-07-26 CN disclosed
WO-2022054850-A1 SOLVENT FOR RESIN SYNTHESIS AND METHOD FOR PRODUCING SYNTHETIC RESIN USING SAID SOLVENT KJケミカルズ株式会社 2022-03-17 WO disclosed
EP-2796445-A1 Continuous method for producing amides of aliphatic hydroxy carbocylic acids Clariant Finance (BVI) Limited (VG) 2014-10-29 EP disclosed
EP-2274275-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ALIPHATIC HYDROXY CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
WO-2009121489-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ALIPHATIC HYDROXY CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed
US-RE32733-E Polymer/polyol compositions having improved combustion resistance UNION CARBIDE CORPORATION (US) 1988-08-16 US disclosed
US-4463107-A ACRYLONITRILE-ETHYLENICALLY UNSATURATED MONOMER COPOLYMER DISPERSION; POLYURETHANES UNION CARBIDE CORPORATION (US) 1984-07-31 US disclosed
US-4197373-A N,N'-BIS(1-HYDROXY-2,2,2-TRICHLOROETHYL)MELAMINE AND ITS DERIVATIVES PENNWALT CORPORATION (US) 1980-04-08 US disclosed
US-4152497-A Compounds containing the 2,2,2-trichloroethyl group as flame retardants for polyurethanes PENNWALT CORPORATION (US) 1979-05-01 US disclosed