SCHEMBL6826439

SCHEMBL6826439

Cc1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SLC2A1 P11166 1/20 0.47
ACLY P53396 2/20 0.47
ALOX5 P09917 1/20 0.47
HRH4 Q9H3N8 4/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
POLB P06746 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6921864 0.89 HRH3 (0.51) LMNASLC2A1ALOX5HRH4NOD2
SCHEMBL6830280 0.88 IDO1 (0.47) LMNASLC2A1ALOX5NOD2NOD1
SCHEMBL6829317 0.87 HTR6 (0.49) LMNASLC2A1ACLYHRH4HRH3
SCHEMBL6826389 0.87 LMNA (0.47) LMNASLC2A1ACLYALOX5HRH4
SCHEMBL6831422 0.80 HTR6 (0.47) LMNASLC2A1HRH4POLB
SCHEMBL6830116 0.80 KDM4E (0.51) LMNASLC2A1HRH4HRH3
SCHEMBL6925689 0.80 SLC2A1 (0.48) LMNASLC2A1ACLYALOX5HRH3
SCHEMBL6829881 0.78 SLC2A1 (0.56) LMNASLC2A1ALOX5HRH4NOD2
SCHEMBL10259849 0.76 GAA (0.59) LMNASLC2A1ALOX5POLB
SCHEMBL6829377 0.76 HRH3 (0.53) LMNASLC2A1ACLYNOD2NOD1

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
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