SCHEMBL4897459

SCHEMBL4897459

O=S(=O)(O)c1ccc2ccccc2c1S(=O)(=O)O.[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CTRB1 P17538 1/20 0.51
MPL P40238 3/20 0.46
CTRC Q99895 2/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HIF1A Q16665 3/20 0.41
CYP1B1 Q16678 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTPRA P18433 1/20 0.40

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
SCHEMBL4578484 1.00 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL8835967 1.00 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL3233255 1.00 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL30867080 1.00 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL41541 0.98 CYP2D6 (0.53) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL5077155 0.96 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL3233245 0.96 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
Hydrochloric Acid SCHEMBL251599 0.96 CTRB1 (0.55) CYP2D6CTRB1MPLCTRCCA1
SCHEMBL4314625 0.96 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1
Water SCHEMBL669870 0.96 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101378761-A Cationic steroid antimicrobial compositions and methods of use thereof UNIV BRIGHAM YOUNG (US) 2009-03-04 CN claimed
CN-1950135-A Solid product dissolver and method of use thereof NALCO CO (US) 2007-04-18 CN claimed
US-10865497-B2 Manufacturing method of mask SHARP KABUSHIKI KAISHA (JP) 2020-12-15 US disclosed
US-20200091432-A1 MANUFACTURING METHOD OF MASK SHARP KABUSHIKI KAISHA (JP) 2020-03-19 US disclosed
CN-101378761-B cationic steroid antimicrobial compositions and methods of use thereof UNIV BRIGHAM YOUNG 2013-10-16 CN disclosed
CN-102145005-A Cationic steroid antimicrobial compositions and methods of use UNIV VANDERBILT 2011-08-10 CN disclosed
CN-101378761-A Cationic steroid antimicrobial compositions and methods of use thereof UNIV BRIGHAM YOUNG (US) 2009-03-04 CN disclosed
US-20080053573-A1 Rare Earth Magnet TDK CORPORATION (JP) 2008-03-06 US disclosed
CN-1950135-A Solid product dissolver and method of use thereof NALCO CO (US) 2007-04-18 CN disclosed
US-5160423-A Group 2A salt; brightness, corrosion resistance KANTO KASEI CO., LTD. (JP) 1992-11-03 US disclosed
US-4324742-A SELECTIVE SEPARATION OF ISOMERS BY CRYSTALLIZATION SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-13 US disclosed
US-4127602-A Methyl substituted hydroxynaphthalenesulfonic acid ureides and salts as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-11-28 US disclosed
US-4103028-A SUBSTITUTED HYDROXY NAPHTHALENEDISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-07-25 US disclosed
US-4046805-A Substituted-hydroxy-naphthalenedisulfonic acid compounds AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed
US-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed