SCHEMBL6207478

SCHEMBL6207478

O=C(Nc1cccc2c(S(=O)(=O)N(C(=O)N3CCOCC3)C3CCNCC3)cccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.52
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALB P02768 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6248251 0.96 CCR8 (0.57) CCR8
SCHEMBL6202904 0.84 CCR8 (0.60) CCR8
SCHEMBL1338876 0.77 CCR8 (0.60) CCR8
SCHEMBL6415249 0.76 CCR8 (0.59) CCR8
SCHEMBL6250920 0.75 CCR8 (0.59) CCR8
SCHEMBL1337346 0.74 CCR8 (0.70) CCR8
SCHEMBL1339908 0.72 CCR8 (0.89) CCR8
SCHEMBL6205310 0.72 CCR8 (0.61) CCR8
SCHEMBL1338838 0.69 CCR8 (0.77) CCR8
SCHEMBL1338751 0.69 CCR8 (1.00) CCR8MEN1KMT2AKDM4ELMNA

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-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed