Toluene

Toluene

SCHEMBL180605

Cc1ccccc1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR2 O43614 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP3 Q9H4L4 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
Toluene SCHEMBL28200600 0.98 MYC (0.46) MYCTSHRLMNAALOX12ACHE
Benzene SCHEMBL8718895 0.94 MYC (0.52) MYCTSHRLMNAACHESMN1; SMN2
Benzene SCHEMBL28093278 0.91 MYC (0.50) MYCTSHRLMNAACHESMN1; SMN2
SCHEMBL1748 0.91 MYC (0.53) MYCTSHRACHESMN1; SMN2SLC1A3
SCHEMBL29392580 0.91 MYC (0.53) MYCTSHRACHESMN1; SMN2SLC1A3
Lithium SCHEMBL11112963 0.89 MYC (0.52) MYCTSHRACHESMN1; SMN2SLC1A3
Water SCHEMBL3917281 0.89 MYC (0.52) MYCTSHRACHESMN1; SMN2SLC1A3
Water SCHEMBL8126703 0.89 MYC (0.52) MYCTSHRACHESMN1; SMN2SLC1A3
SCHEMBL8715920 0.89 MYC (0.52) MYCTSHRACHESMN1; SMN2SLC1A3
SCHEMBL2045309 0.89 MYC (0.52) MYCTSHRACHESMN1; SMN2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111741965-B Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-06-25 CN disclosed
CN-118085004-A Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-05-28 CN disclosed
WO-2023101256-A1 5-ALPHA-REDUCTASE INHIBITOR, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 주식회사 팜어스바이오사이언스 2023-06-08 WO disclosed
CN-110072848-A Tricyclic sulfone as gamma modulators 百时美施贵宝公司 2019-07-30 CN disclosed
CN-109476639-A Pyrrolidin derivatives 橘生药品工业股份有限公司 2019-03-15 CN disclosed
CN-108473500-A Imidazopyridazine compounds as the conditioning agent that IL-12, IL-23 and/or IFN α respond 百时美施贵宝公司 2018-08-31 CN disclosed
CN-105992768-B The Imidazopyridazine compounds of conditioning agent as the response of IL 12, IL 23 and/or IFN α 百时美施贵宝公司 2018-04-20 CN disclosed
EP-1717273-B1 ORGANIC-INORGANIC COMPOSITE NANOFIBER, ORGANIC-INORGANIC COMPOSITE STRUCTURE AND METHOD FOR PRODUCING THOSE KAWAMURA INST CHEM RES (JP) 2012-01-04 EP disclosed
US-7670509-B2 Composite nanofiber, composite nanofiber association, complex structure, and production method thereof KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2010-03-02 US disclosed
US-7645828-B2 Monodisperse silica spheres containing polyamine and process for producing the same KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2010-01-12 US disclosed
US-20070197708-A1 Composite nanofiber, composite nanofiber association, complex structure, and production method thereof KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2007-08-23 US disclosed
US-20070166472-A1 Organic-inorganic hybrid nanofiber, organic-inorganic hybrid structure, and method for producing the same KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2007-07-19 US disclosed
CN-1968950-A Pyridinylisoxazole compounds and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2007-05-23 CN disclosed
EP-1717273-A1 ORGANIC-INORGANIC COMPOSITE NANOFIBER, ORGANIC-INORGANIC COMPOSITE STRUCTURE AND METHOD FOR PRODUCING THOSE KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-11-02 EP disclosed
US-6960644-B2 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-11-01 US disclosed
EP-1400555-A1 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2004-03-24 EP disclosed
US-20040054127-A1 Water-soluble block copolymer and production method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2004-03-18 US disclosed
EP-0876375-A1 TRICYCLIC HERBICIDAL HETEROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-11 EP disclosed
WO-1997019087-A1 TRICYCLIC HERBICIDAL HETEROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-29 WO disclosed
US-4508912-A UNING METAL OXIDE, HYDROXIDE, ACID OR ACID SALT, OR ORGANOBASIC COMPOUND CATALYST AJINOMOTO COMPANY, INCORPORATED (JP) 1985-04-02 US disclosed