SCHEMBL6203974

SCHEMBL6203974

O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCNCC2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
KCNH2 Q12809 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SMYD3 Q9H7B4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 1/20 0.38
RORC P51449 2/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR8 P51685 1/20 0.37
NSD2 O96028 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6409599 0.84 SMYD3 (0.39) SLC6A2SLC6A4KCNH2SLC6A3SMYD3
SCHEMBL6205310 0.81 CCR8 (0.61) SLC6A2SLC6A4KCNH2SLC6A3SMYD3
SCHEMBL6205468 0.78 SLC6A4 (0.42) SLC6A2SLC6A4KCNH2SLC6A3HTR6
SCHEMBL24392681 0.73 SLC6A2 (0.53) SLC6A2SLC6A4KCNH2SLC6A3SMYD3
SCHEMBL6204695 0.72 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2SLC6A3MEN1
SCHEMBL4344607 0.72 CCR8 (0.66) HTR6CCR8NSD2
SCHEMBL2958329 0.72 CNR2 (0.57) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL3811903 0.69 DCUN1D1 (0.58) SLC6A2SLC6A4KCNH2SLC6A3DCUN1D1
SCHEMBL6204001 0.69 SLC6A4 (0.39) SLC6A2SLC6A4KCNH2SLC6A3KMT2A
Hydrochloric Acid SCHEMBL21410210 0.68 DCUN1D1 (0.57) SLC6A2SLC6A4KCNH2SLC6A3DCUN1D1

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 4 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
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed