SCHEMBL4564596

SCHEMBL4564596

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4cccc(-c5ccn[nH]5)c4)cc3)CC2)CC1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
HTR6 P50406 1/20 0.34
NOTUM Q6P988 1/20 0.32
ABL1 P00519 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CCR6 P51684 2/20 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
SCHEMBL4565553 0.80 FGFR1 (0.37) ABL1
SCHEMBL4536541 0.78
SCHEMBL4565577 0.78 SGK1 (0.46) ABL1
SCHEMBL4565426 0.75 TGFBR1 (0.38) CCR6
SCHEMBL4565379 0.73 IRAK4 (0.34)
SCHEMBL4569982 0.73 PTPN1 (0.39)
SCHEMBL4564399 0.72 FASN (0.37) HTR6CCR6
SCHEMBL4564364 0.69 HTR6 (0.36) HTR6CYP3A4
SCHEMBL4564691 0.69 FASN (0.36)
SCHEMBL4562348 0.68 KDM4E (0.31)

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