SCHEMBL4772872

SCHEMBL4772872

CC(C)c1ccc(S(=O)(=O)n2cc(C=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.58
KDM4E B2RXH2 1/20 0.53
UBE2N P61088 1/20 0.53
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
HTR2A P28223 1/20 0.43
KDM1A O60341 1/20 0.43
KLK7 P49862 1/20 0.41

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
SCHEMBL946840 0.89 KDM4E (0.67) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL4776299 0.87 HTR6 (0.62) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL949233 0.85 KDM4E (0.52) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL948143 0.85 HTR6 (0.55) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL4778239 0.85 HTR6 (0.60) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL945672 0.85 KDM4E (0.58) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL4776515 0.84 HTR6 (0.53) HTR6KDM4EUBE2N
SCHEMBL946386 0.84 KDM4E (0.49) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL946643 0.84 KDM4E (0.76) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL947550 0.80 HTR6 (0.60) HTR6CYP3A4CYP2D6HTR2A

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