SCHEMBL4774296

SCHEMBL4774296

COc1ccc(S(=O)(=O)n2cc(C=O)c3ccccc32)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
UBE2N P61088 1/20 0.54
HTR6 P50406 13/20 0.48
CYP3A4 P08684 2/20 0.48
ADRA2A P08913 2/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA2C P18825 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTR2A P28223 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL4769905 0.91 HTR6 (0.50) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4772681 0.87 HTR6 (0.60) KDM4EUBE2NHTR6CYP3A4ADRA2A
SCHEMBL4776444 0.87 HTR6 (0.46) KDM4EUBE2NHTR6CYP3A4ADRA2A
SCHEMBL4773184 0.85 HTR6 (0.44) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL947498 0.82 KDM4E (0.60) KDM4EUBE2NHTR6ALDH1A1CA2
SCHEMBL4774289 0.82 HTR6 (0.47) KDM4EUBE2NHTR6CYP3A4ADRA2A
SCHEMBL945661 0.82 KDM4E (0.76) KDM4EUBE2NHTR6CYP3A4CYP2C19
SCHEMBL30542060 0.82 KDM4E (0.76) KDM4EUBE2NHTR6CYP3A4CYP2C19
SCHEMBL946708 0.81 HTR6 (0.56) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946693 0.81 HTR6 (0.55) 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