SCHEMBL6826421

SCHEMBL6826421

CCOc1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
PKM P14618 1/20 0.44
NOD2 Q9HC29 3/20 0.44
NOD1 Q9Y239 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL6829140 0.90 HRH3 (0.55) SLC2A1LMNAKDM4ETSHRHPGD
SCHEMBL6831430 0.89 SLC2A1 (0.55) SLC2A1KDM4ETSHRHPGDHSD17B10
SCHEMBL6925801 0.89 KDM4E (0.48) SLC2A1LMNAKDM4ETSHRHPGD
SCHEMBL6829881 0.83 SLC2A1 (0.56) SLC2A1LMNATSHRHPGDALDH1A1
SCHEMBL6830116 0.83 KDM4E (0.51) SLC2A1LMNAKDM4ETSHRHPGD
SCHEMBL6826365 0.82 SLC2A1 (0.57) SLC2A1LMNAALDH1A1HRH3HDAC3
SCHEMBL6826410 0.81 SLC2A1 (0.55) SLC2A1LMNATSHRHPGDALDH1A1
SCHEMBL6826496 0.80 SLC2A1 (0.54) SLC2A1LMNATSHRHPGDALDH1A1
SCHEMBL6826756 0.80 DRD2 (0.54) SLC2A1LMNAKDM4ETSHRHPGD
SCHEMBL6826373 0.79 HRH3 (0.58) SLC2A1KDM4ETSHRHPGDALDH1A1

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