SCHEMBL4778899

SCHEMBL4778899

COc1ccc2c(c1)c(C=O)cn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
KDM4E B2RXH2 1/20 0.52
UBE2N P61088 1/20 0.52
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1E P28566 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL3035871 0.93 HTR6 (0.59) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4776849 0.90 KDM4E (0.64) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4778240 0.88 HTR6 (0.59) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL950533 0.88 HTR6 (0.63) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL4778239 0.86 HTR6 (0.60) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4776515 0.83 HTR6 (0.53) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL4778090 0.83 KDM4E (0.52) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL2134631 0.83 KDM4E (0.67) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL5350714 0.83 ALDH1A1 (0.60) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL948143 0.81 HTR6 (0.55) HTR6CYP3A4CYP2D6KDM4EUBE2N

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