SCHEMBL4565605

SCHEMBL4565605

Cc1cc(S(=O)(=O)C2CCC3(CC2)CC(C2CC2)C(=O)CN3)ccc1-c1ccc2cccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
FASN P49327 4/20 0.36
LOXL2 Q9Y4K0 2/20 0.32
HTR6 P50406 2/20 0.32
GSK3B P49841 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL4564364 0.91 HTR6 (0.36) MAPK14FASNLOXL2HTR6GSK3B
SCHEMBL4564893 0.88 FASN (0.35) MAPK14FASNLOXL2GSK3B
SCHEMBL4565347 0.88 MAPK14 (0.35) MAPK14FASNGSK3BDDB1CRBN
SCHEMBL4564399 0.85 FASN (0.37) FASNLOXL2HTR6GSK3BDDB1
SCHEMBL4564770 0.84 NR3C1 (0.33)
SCHEMBL4561087 0.83 LOXL2 (0.33) MAPK14FASNLOXL2GSK3BDDB1
SCHEMBL4565737 0.82 GSK3B (0.37) MAPK14FASNLOXL2GSK3BDDB1
SCHEMBL4564691 0.81 FASN (0.36) FASNGSK3BDDB1CRBN
SCHEMBL4565609 0.81 FASN (0.38) FASNHTR6GSK3BDDB1CRBN
SCHEMBL4561931 0.79 FASN (0.41) MAPK14FASNLOXL2HTR6GSK3B

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
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed