SCHEMBL6270103

SCHEMBL6270103

O=S(=O)(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.55
SLC6A9 P48067 3/20 0.55
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
PFKFB3 Q16875 1/20 0.48
HCRTR1 O43613 1/20 0.46
GHSR Q92847 1/20 0.46
TYMS P04818 1/20 0.45
PGR P06401 1/20 0.44
PGAM1 P18669 1/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL6273953 0.99 SLC6A9 (0.55) HTR6SLC6A9TSHRGAAALDH1A1
SCHEMBL6273962 0.74 GAA (0.59) TSHRGAAALDH1A1HTT
SCHEMBL6269857 0.74 TSHR (0.59) TSHRGAAALDH1A1HTT
SCHEMBL3961769 0.72 HTR6 (0.69) HTR6SLC6A9NR1I2
SCHEMBL6270957 0.71 GAA (0.56) TSHRGAAALDH1A1
SCHEMBL27082080 0.71 HTR6 (0.58) HTR6TSHRHTTPGRRORA
SCHEMBL3147704 0.71 HTR6 (1.00) HTR6
SCHEMBL3142917 0.71 HTR6 (0.85) HTR6SLC6A9NR1I2
SCHEMBL4037350 0.71 HTR6 (1.00) HTR6SLC6A9NR1I2
SCHEMBL3259317 0.71 ALDH1A1 (0.64) TSHRALDH1A1HTTPFKFB3HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245561-B1 N-SUBSTITUTED BENZYL OR PHENYL AROMATIC SULFAMIDES COMPOUNDS AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2005-12-28 EP claimed
US-6605635-B1 Prevention and treatment of cardiac arrhythmia; condensation of aromatic sulfochloride with p-hydroxybenzylamine followed by mannich reaction SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE (CN) 2003-08-12 US claimed