SCHEMBL4594262

SCHEMBL4594262

CCOc1cc(CN(c2nc3cccc(NC(=O)COC)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.35
SSTR5 P35346 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR2A P28223 2/20 0.34
HTT P42858 3/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
MDM4 O15151 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MDM2 Q00987 1/20 0.32
TACR1 P25103 1/20 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
SCHEMBL4593624 0.88 SSTR5 (0.35) IRAK4SSTR5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4594330 0.87 PSMB8 (0.41) SSTR5ALDH1A1KDM4EHTTLMNA
SCHEMBL4594833 0.85 SSTR5 (0.36) SSTR5HTR2AKCNH2MEN1KMT2A
SCHEMBL5486981 0.85 SSTR5 (0.37) SSTR5ALDH1A1KDM4ESMN1; SMN2HTR2A
SCHEMBL4594401 0.84 GLA (0.36) SSTR5HTR2AKCNH2MEN1KMT2A
SCHEMBL4594594 0.82 SSTR5 (0.35) SSTR5HTR2AKCNH2MEN1KMT2A
SCHEMBL4593346 0.80 PPARG (0.35) SSTR5HTR2AKCNH2MEN1KMT2A
SCHEMBL4594289 0.80 SSTR5 (0.39) SSTR5KCNH2TACR1
SCHEMBL4593333 0.80 SLC6A2 (0.35) SSTR5SMN1; SMN2HTR2AKCNH2MEN1
SCHEMBL4593584 0.78 SSTR5 (0.35) IRAK4SSTR5ALDH1A1KDM4ESMN1; SMN2

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