SCHEMBL4778090

SCHEMBL4778090

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
UBE2N P61088 1/20 0.52
HTR6 P50406 15/20 0.51
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
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 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
SCHEMBL4778240 0.93 HTR6 (0.59) KDM4EUBE2NHTR6PPARGPPARD
SCHEMBL3035871 0.90 HTR6 (0.59) KDM4EUBE2NHTR6PPARGPPARD
SCHEMBL946321 0.89 KDM4E (0.57) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL945912 0.88 KDM4E (0.67) KDM4EUBE2NHTR6CA2CA9
SCHEMBL4776444 0.86 HTR6 (0.46) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL4776515 0.86 HTR6 (0.53) KDM4EUBE2NHTR6PPARGPPARD
SCHEMBL4776849 0.85 KDM4E (0.64) KDM4EUBE2NHTR6PPARGPPARD
SCHEMBL948577 0.84 HTR6 (0.58) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL947412 0.84 KDM4E (0.58) KDM4EUBE2NHTR6CYP3A4CYP2D6
SCHEMBL4776299 0.83 HTR6 (0.62) KDM4EUBE2NHTR6CYP3A4CYP2D6

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