SCHEMBL6925689

SCHEMBL6925689

CC(C)c1ccc(S(=O)(=O)n2c(C(=O)N3CCN(C)CC3)cc3cc(C(C)C)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
HTR6 P50406 9/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ACLY P53396 2/20 0.43
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
ALOX5 P09917 1/20 0.41
HTR2A P28223 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6829377 0.94 HRH3 (0.53) SLC2A1HRH3HTR6ALDH1A1GAA
SCHEMBL6826410 0.94 SLC2A1 (0.55) SLC2A1HRH3HTR6ALDH1A1GAA
SCHEMBL6924887 0.90 ALOX5 (0.52) SLC2A1HTR6ALDH1A1GAATSHR
SCHEMBL7068535 0.90 HTR6 (0.54) SLC2A1HRH3HTR6ALDH1A1TSHR
SCHEMBL6924163 0.89 SLC2A1 (0.43) SLC2A1HRH3HTR6ALDH1A1GAA
SCHEMBL6925801 0.88 KDM4E (0.48) SLC2A1HRH3HTR6ALDH1A1TSHR
SCHEMBL6829119 0.85 HTR6 (0.45) SLC2A1HRH3HTR6ALDH1A1GAA
SCHEMBL6830116 0.80 KDM4E (0.51) SLC2A1HRH3HTR6ALDH1A1TSHR
SCHEMBL6826439 0.80 LMNA (0.50) SLC2A1HRH3LMNAACLYALOX5
SCHEMBL6921864 0.80 HRH3 (0.51) SLC2A1HRH3HTR6GAALMNA

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