SCHEMBL4561087

SCHEMBL4561087

Cc1cc(S(=O)(=O)C2CCC3(CC2)CC(C2CC2)C(=O)CN3)sc1-c1ccc2cccnc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
FASN P49327 2/20 0.33
MAPK14 Q16539 1/20 0.33
GSK3B P49841 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL4565605 0.83 MAPK14 (0.37) LOXL2FASNMAPK14GSK3BDDB1
SCHEMBL4565347 0.82 MAPK14 (0.35) FASNMAPK14GSK3BDDB1CRBN
SCHEMBL4565737 0.81 GSK3B (0.37) LOXL2FASNMAPK14GSK3BDDB1
SCHEMBL4564691 0.80 FASN (0.36) FASNGSK3BDDB1CRBN
SCHEMBL4565609 0.80 FASN (0.38) FASNGSK3BDDB1CRBN
SCHEMBL4564399 0.80 FASN (0.37) LOXL2FASNGSK3BDDB1CRBN
SCHEMBL4564364 0.79 HTR6 (0.36) LOXL2FASNMAPK14GSK3B
SCHEMBL4564893 0.77 FASN (0.35) LOXL2FASNMAPK14GSK3B
SCHEMBL4561931 0.75 FASN (0.41) LOXL2FASNMAPK14GSK3BDDB1
SCHEMBL4565386 0.73 FASN (0.40) LOXL2FASNMAPK14GSK3BDDB1

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