SCHEMBL6010059

SCHEMBL6010059

COc1cccc(S(=O)(=O)C(Nc2ncc(Cc3ccccc3C)s2)C2CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
SCD O00767 1/20 0.34
NMT1 P30419 1/20 0.33
POLB P06746 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALPL P05186 1/20 0.32
ALK Q9UM73 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
KDM1B Q8NB78 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIRT2 Q8IXJ6 3/20 0.32

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
SCHEMBL4428899 0.83 MAPK13 (0.41)
SCHEMBL4426968 0.73 MAPK13 (0.44)
SCHEMBL4430314 0.71 MAPK13 (0.37) HTR6
SCHEMBL4437429 0.66 CCR8 (0.35) CYP2C19
SCHEMBL4427490 0.65 CCR8 (0.39) CYP2C19
SCHEMBL4426585 0.64 CCR8 (0.37) KDM4E
SCHEMBL12026969 0.62 LMNA (0.53) SCDPOLBKDM4ESIRT2
SCHEMBL16818398 0.61 HTR2C (0.54) HTR6FFAR4KDM1AMAOAKDM1B
SCHEMBL5764855 0.61 HTR2C (0.51) NMT1HTR2C
SCHEMBL4430342 0.61 RXFP1 (0.40)

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-1656374-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
WO-2005014593-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO claimed