SCHEMBL5500930

SCHEMBL5500930

O=CCc1cc(S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.43
STAT3 P40763 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL5495247 0.79 ALDH1A1 (0.51) SMN1; SMN2MAPTL3MBTL1LMNAKMT2A
SCHEMBL6203294 0.79 MAOB (0.51) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL2722375 0.78 USP28 (0.60) PTGER1SMN1; SMN2RAB9ALMNAHTT
SCHEMBL6888064 0.78 PTGER1 (0.55) PTGER1STAT3KMT2A
SCHEMBL6887813 0.78 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL6881308 0.78 L3MBTL1 (0.48) PTGER1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL3146330 0.78 CA12 (0.48) STAT3SMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL872421 0.77 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL17141460 0.75 HTR2C (0.51) PTGER1
SCHEMBL5496236 0.75 POLB (0.62) SMN1; SMN2MAPTL3MBTL1POLBHTR6

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-1748995-A1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH F. Hoffmann-La Roche AG (CH) 2007-02-07 EP disclosed
WO-2005105776-A1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed