SCHEMBL186309

SCHEMBL186309

COc1ccccc1Cn1nc(-c2ccsc2S(N)(=O)=O)c2c(OC)cccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.49
RORC P51449 2/20 0.49
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
FEN1 P39748 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL186059 0.86 CCR4 (0.51) CCR4
SCHEMBL185246 0.82 BUB1 (0.42) CCR4
SCHEMBL185657 0.81 CCR4 (0.41) CCR4GAA
SCHEMBL186961 0.80 CCR4 (0.44) CCR4
SCHEMBL185344 0.78 CCR4 (0.43) CCR4RORC
SCHEMBL185375 0.78 CCR4 (0.43) CCR4
SCHEMBL186311 0.72 GRIN1 (0.42) CCR4FEN1
SCHEMBL186026 0.70 TTK (0.60) KDM4EMEN1KMT2ALMNA
SCHEMBL186431 0.68 CCR4 (0.41) CCR4
SCHEMBL185667 0.67 RORC (0.36) CCR4RORCFEN1

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-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed