SCHEMBL6438258

SCHEMBL6438258

[CH2]COc1c(C)n(S(=O)(=O)c2ccc(OC)cc2Br)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
AVPR1B P47901 4/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2C19 P33261 1/20 0.38
OXTR P30559 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6442221 0.90 AVPR1B (0.37) HTR6AVPR1BSMN1; SMN2TSHRNPSR1
SCHEMBL6440241 0.89 HTR6 (0.44) HTR6AVPR1BOXTRSMN1; SMN2TSHR
SCHEMBL3556128 0.85 HTR6 (0.50) HTR6KEAP1NFE2L2
SCHEMBL6439590 0.79 HTR6 (0.43) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL6526507 0.78 LMNA (0.47) HTR6SMN1; SMN2GAARECQLKMT2A
SCHEMBL6439888 0.77 HTR6 (0.48) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL6439333 0.77 HTR6 (0.45) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL3560474 0.77 HTR6 (0.52) HTR6AVPR1BOXTR
SCHEMBL3560725 0.76 HTR6 (0.40) HTR6AVPR1BCYP2D6CYP2C19ALDH1A1
SCHEMBL3565168 0.75 HTR6 (0.52) HTR6AVPR1BOXTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567492-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES Suven Life Sciences Limited (IN) 2005-08-31 EP claimed
WO-2004048328-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed
EP-1567492-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES Suven Life Sciences Limited (IN) 2005-08-31 EP disclosed
WO-2004048328-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed