SCHEMBL9011006

SCHEMBL9011006

CCCC([n+]1ccccc1)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
Water SCHEMBL8009819 0.98 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
Sulfuric Acid SCHEMBL28789324 0.95 CHRM1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25362469 0.93 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
Sulfuric Acid SCHEMBL15065301 0.93 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
Trifluoromethanesulfonic Acid SCHEMBL25360346 0.90
SCHEMBL1980407 0.84
Water SCHEMBL4146453 0.82
Phosphoric Acid SCHEMBL28367097 0.78
SCHEMBL25360569 0.78
SCHEMBL10640381 0.78 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516128-A Synthetic technology of diphenylmethane dicarbamate by adopting Bronsted-Lewis acidic ionic liquid catalysis UNIV HEBEI TECHNOLOGY 2012-06-27 CN claimed
CN-102701967-B Preparation method of ethyl acetate UNIV DALIAN TECH 2014-04-09 CN disclosed
CN-102516128-B Synthetic technology of diphenylmethane dicarbamate by adopting Bronsted-Lewis acidic ionic liquid catalysis UNIV HEBEI TECHNOLOGY 2014-03-19 CN disclosed
CN-102516128-A Synthetic technology of diphenylmethane dicarbamate by adopting Bronsted-Lewis acidic ionic liquid catalysis UNIV HEBEI TECHNOLOGY 2012-06-27 CN disclosed
EP-0649918-B1 Alkaline zinc-nickel alloy plating baths ROHCO INC MCGEAN (US) 1996-11-20 EP disclosed
US-5417840-A Quaternary ammonium compound containing nitrogen heterocycle, brightness MCGEAN-ROHCO, INC. (US) 1995-05-23 US disclosed
EP-0649918-A1 Alkaline zinc-nickel alloy plating baths MCGEAN-ROHCO, INC. (US) 1995-04-26 EP disclosed