SCHEMBL5488890

SCHEMBL5488890

CCOc1cc(CN(c2nc3c(C(N)=O)[c]ccc3o2)C2CCNCC2)cc(NC(C)=O)c1I

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SSTR5 P35346 1/20 0.30
BRD4 O60885 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL5487199 0.91 SSTR5 (0.32) ALDH1A1SSTR5
SCHEMBL5482006 0.87 SSTR5 (0.32) SSTR5
SCHEMBL5484199 0.84 REN (0.39) SSTR5
SCHEMBL5488874 0.84 SLC6A2 (0.34) ALDH1A1SSTR5
SCHEMBL4863638 0.84 SLC6A2 (0.34) SSTR5
SCHEMBL5488923 0.84 SSTR5 (0.30) SSTR5
SCHEMBL5483629 0.84 SLC6A2 (0.34) SSTR5
SCHEMBL1378950 0.84 SSTR5 (0.35) SSTR5
SCHEMBL5486955 0.82
SCHEMBL5486745 0.82 SSTR5 (0.35) SSTR5

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-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed