SCHEMBL27469666

SCHEMBL27469666

C=CC(=O)NC.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
LMNA P02545 2/20 0.32
FGFR4 P22455 1/20 0.30
CA2 P00918 1/20 0.30
F13A1 P00488 1/20 0.30
TGM1 P22735 1/20 0.30
TGM3 Q08188 1/20 0.30
GSTO1 P78417 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
Sulfuric Acid SCHEMBL27873789 0.95 TSHR (0.42) TGM2TSHRALDH1A1MAPK1TDP1
SCHEMBL4354008 0.89 TSHR (0.50) TGM2TSHRALDH1A1MAPK1TDP1
SCHEMBL15004 0.89
SCHEMBL27471616 0.88 ZDHHC20 (0.44) TGM2TSHRALDH1A1MAPK1TDP1
Sulfuric Acid SCHEMBL16268484 0.88 ZDHHC20 (0.44) TGM2TSHRALDH1A1MAPK1TDP1
SCHEMBL1292666 0.86 TSHR (0.37) TGM2TSHRALDH1A1MAPK1TDP1
SCHEMBL28523135 0.86 TSHR (0.46) TGM2TSHRALDH1A1MAPK1TDP1
Methyl Alcohol SCHEMBL28509086 0.86
Methyl Alcohol SCHEMBL28641407 0.86 TSHR (0.48) TGM2TSHRALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL4773602 0.86

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104737018-B Part graft base 3M创新有限公司 2017-06-30 CN disclosed
CN-103119074-B Monomer composition containing unsaturated polyalkylene glycol ether-based monomer, method for producing composition, polymer obtained using composition, and method for producing polymer NIPPON CATALYTIC CHEM IND 2015-04-15 CN disclosed
CN-101910268-B Porous polymeric resins 3M INNOVATIVE PROPERTIES CO 2014-07-30 CN disclosed
CN-102336845-B Method for synthesizing polycarboxylic acid water reducer SHANGHAI TAIJIE CHEMICAL CO LTD 2014-04-30 CN disclosed
CN-102112412-B Shrinkage-reducing agent for hydraulic material and shrinkage-reducing agent composition for hydraulic material NIPPON CATALYTIC CHEM IND 2013-12-18 CN disclosed
CN-103119074-A Monomer composition containing unsaturated polyalkylene glycol ether-based monomer, method for producing composition, polymer obtained using composition, and method for producing polymer NIPPON CATALYTIC CHEM IND 2013-05-22 CN disclosed
CN-102149747-A Multibranched polyalkylene glycol polymer and manufacturing method thereof, and cement admixture NIPPON CATALYTIC CHEM IND 2011-08-10 CN disclosed
CN-102112412-A Shrinkage-reducing agent for hydraulic material and shrinkage-reducing agent composition for hydraulic material NIPPON CATALYTIC CHEM IND 2011-06-29 CN disclosed
CN-101353399-B Polycarboxylic acid type copolymer and cement additive containing polycarboxylic acid type copolymer NIPPON CATALYTIC CHEM IND 2010-12-15 CN disclosed
CN-101910268-A Porous polymeric resins 3M INNOVATIVE PROPERTIES CO 2010-12-08 CN disclosed
CN-1863946-A Protein crystallization device, protein crystallization method, protein crystallization agent and preparation method thereof MITSUBISHI RAYON CO (JP) 2006-11-15 CN disclosed
CN-1284742-C Cement dispersant, method for producing same, and cement composition using same NIPPON CATALYTIC CHEM IND (JP) 2006-11-15 CN disclosed
CN-1807476-A Polycarboxylic acid copolymer, production method and use thereof NIPPON CATALYTIC CHEM IND (JP) 2006-07-26 CN disclosed
CN-1243777-C Polycarboxylic acid type copolymer, and preparation method and use thereof NIPPON CATALYTIC CHEM IND (JP) 2006-03-01 CN disclosed
CN-1673240-A N-vinyl amide polymer and production method thereof NIPPON CATALYTIC CHEM IND (JP) 2005-09-28 CN disclosed
CN-1618941-A Detergent builder and detergent composition NIPPON CATALYTIC CHEM IND (JP) 2005-05-25 CN disclosed
CN-1537126-A Polycarboxylic acid type copolymer, and preparation method and use thereof 株式会社日本触媒 2004-10-13 CN disclosed
CN-1148329-C Cement dispersant agent and cement compsn. using same 株式会社日本触媒 2004-05-05 CN disclosed
CN-1412145-A Cement dispersant, method for producing same, and cement composition using same NIPPON CATALYTIC CHEM IND (JP) 2003-04-23 CN disclosed
CN-1343642-A Cement dispersant agent and cement compsn. using same NIPPON CATALYTIC CHEM IND (JP) 2002-04-10 CN disclosed