SCHEMBL4778239

SCHEMBL4778239

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 3/20 0.60
HTR2A P28223 1/20 0.60
KDM4E B2RXH2 1/20 0.50
UBE2N P61088 1/20 0.50
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
HTR1A P08908 1/20 0.46

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 0.91 HTR6 (0.59) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4776849 0.88 KDM4E (0.64) HTR6CYP3A4CYP2D6HTR2AKDM4E
SCHEMBL4778899 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4778240 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6HTR2AKDM4E
SCHEMBL950533 0.86 HTR6 (0.63) HTR6HTR2AKDM4EUBE2NPPARG
SCHEMBL4772872 0.85 HTR6 (0.58) HTR6CYP3A4CYP2D6HTR2AKDM4E
SCHEMBL4776299 0.84 HTR6 (0.62) HTR6CYP3A4CYP2D6HTR2AKDM4E
SCHEMBL4776515 0.84 HTR6 (0.53) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL13239954 0.82 HTR6 (0.66) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL4778090 0.81 KDM4E (0.52) 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