SCHEMBL4776515

SCHEMBL4776515

COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.53
KDM4E B2RXH2 1/20 0.52
UBE2N P61088 1/20 0.52
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL3035871 0.90 HTR6 (0.59) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL946840 0.88 KDM4E (0.67) HTR6KDM4EUBE2NCA2CA9
SCHEMBL4778090 0.86 KDM4E (0.52) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL4776849 0.85 KDM4E (0.64) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL4772872 0.84 HTR6 (0.58) HTR6KDM4EUBE2N
SCHEMBL4773184 0.84 HTR6 (0.44) HTR6ALDH1A1
SCHEMBL948143 0.84 HTR6 (0.55) HTR6KDM4EUBE2NCA2CA9
SCHEMBL949233 0.84 KDM4E (0.52) HTR6KDM4EUBE2NCA2CA9
SCHEMBL4778239 0.84 HTR6 (0.60) HTR6KDM4EUBE2NPPARGPPARD
SCHEMBL945672 0.84 KDM4E (0.58) HTR6KDM4EUBE2NCA2CA9

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