SCHEMBL4772638

SCHEMBL4772638

COc1ccc(S(=O)(=O)n2cc(CCl)c3cc([N+](=O)[O-])ccc32)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.54
CYP3A4 P08684 2/20 0.49
ADRA2A P08913 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR2A P28223 1/20 0.49
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 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
SCHEMBL4778963 0.90 HTR6 (0.54) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4777867 0.89 HTR6 (0.59) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946590 0.87 HTR6 (0.56) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL945974 0.86 HTR6 (0.54) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL947670 0.85 HTR6 (0.69) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4776877 0.85 HTR6 (0.53) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946484 0.85 HTR6 (0.78) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4774289 0.83 HTR6 (0.47) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946693 0.82 HTR6 (0.55) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL947301 0.81 HTR6 (0.70) HTR6CYP3A4ADRA2ACYP2D6ADRA2C

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
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed