SCHEMBL4594289

SCHEMBL4594289

CCOc1cc(CN(c2nc3cccc(S(N)(=O)=O)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 6/20 0.35
HRH1 P35367 3/20 0.35
KCNH2 Q12809 4/20 0.33
IKBKB O14920 1/20 0.32
HTR6 P50406 1/20 0.32
SSTR1 P30872 1/20 0.32
TACR1 P25103 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL4593259 0.92 SSTR5 (0.42) SSTR5CA12CA1CA2CA9
SCHEMBL4593454 0.89 SSTR5 (0.42) SSTR5CA12CA1CA2CA9
SCHEMBL5484170 0.84 SSTR5 (0.56) SSTR5CA12CA1CA2CA9
SCHEMBL5489076 0.84 SSTR5 (0.46) SSTR5CA1CA2CA9SLC6A2
SCHEMBL4594401 0.83 GLA (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5486981 0.83 SSTR5 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594833 0.82 SSTR5 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593346 0.81 PPARG (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593333 0.80 SLC6A2 (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4594262 0.80 IRAK4 (0.35) SSTR5KCNH2TACR1

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-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed