SCHEMBL6830280

SCHEMBL6830280

COc1ccc(S(=O)(=O)n2c(C(=O)N3CCN(C)CC3)cc3cc(C)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SLC2A1 P11166 1/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 2/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
CA12 O43570 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
SCHEMBL6830116 0.93 KDM4E (0.51) IDO1HRH3SLC2A1MMP1MMP3
SCHEMBL6826756 0.88 DRD2 (0.54) SLC2A1MMP1MMP3MMP7MMP9
SCHEMBL6921864 0.88 HRH3 (0.51) IDO1HRH3SLC2A1LMNAALOX5
SCHEMBL6826439 0.88 LMNA (0.50) HRH3SLC2A1LMNAALOX5NOD2
SCHEMBL6829317 0.87 HTR6 (0.49) IDO1HRH3SLC2A1MMP1MMP3
SCHEMBL6826373 0.87 HRH3 (0.58) IDO1HRH3SLC2A1ALDH1A1PKM
SCHEMBL6831430 0.87 SLC2A1 (0.55) HRH3SLC2A1ALDH1A1L3MBTL1HTR6
SCHEMBL7068535 0.85 HTR6 (0.54) HRH3SLC2A1MMP1MMP3MMP7
SCHEMBL6826453 0.84 PPARG (0.50) IDO1HRH3SLC2A1ALDH1A1LMNA
SCHEMBL6831422 0.79 HTR6 (0.47) SLC2A1LMNAL3MBTL1HTR6TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO claimed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed