SCHEMBL4798095

SCHEMBL4798095

CN(CC1CCOCC1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C21CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTR2B P41595 1/20 0.39
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TMEM97 Q5BJF2 3/20 0.33
RORC P51449 2/20 0.33
NAMPT P43490 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CSF1R P07333 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 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
SCHEMBL4802225 0.86 KMT2A (0.41) HTR2CSMN1; SMN2ALDH1A1HTTHTR2A
SCHEMBL4795055 0.85 KMT2A (0.39) HTR2CSMN1; SMN2ALDH1A1HTR2A
SCHEMBL4798089 0.74 ALDH1A1 (0.37) SMN1; SMN2NAMPTALDH1A1
SCHEMBL4732243 0.73 CNR2 (0.39) ALDH1A1HTT
SCHEMBL4730155 0.72 CNR2 (0.39) HTT
SCHEMBL4732586 0.69 HTT (0.38) SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4802221 0.69 ALDH1A1 (0.38) HTR2BMAPK1SMN1; SMN2KCNH2ALDH1A1
SCHEMBL4732186 0.68 HTT (0.36) ALDH1A1HTT
SCHEMBL4795053 0.67 ALDH1A1 (0.38) HTR2BMAPK1SMN1; SMN2KCNH2ALDH1A1
SCHEMBL4730085 0.66 KMT2A (0.41) SMN1; SMN2KCNH2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed