SCHEMBL4776299

SCHEMBL4776299

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.62
KDM4E B2RXH2 1/20 0.52
UBE2N P61088 1/20 0.52
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
KLK7 P49862 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL946321 0.89 KDM4E (0.57) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL945912 0.88 KDM4E (0.67) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL4772872 0.87 HTR6 (0.58) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL948577 0.84 HTR6 (0.58) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL4778239 0.84 HTR6 (0.60) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL947412 0.84 KDM4E (0.58) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL4778090 0.83 KDM4E (0.52) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL946386 0.83 KDM4E (0.49) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL946643 0.83 KDM4E (0.76) HTR6KDM4EUBE2NCYP3A4CYP2D6
SCHEMBL949233 0.81 KDM4E (0.52) HTR6KDM4EUBE2NCYP3A4CYP2D6

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