SCHEMBL4593584

SCHEMBL4593584

CCOc1cc(CN(c2nc3c(NC(=O)COC)cccc3o2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.35
HRH1 P35367 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL4593624 0.90 SSTR5 (0.35) SSTR5MAPTLMNASMN1; SMN2TP53
SCHEMBL4593363 0.86 SSTR5 (0.37) SSTR5HRH1LMNASMN1; SMN2TP53
SCHEMBL4593932 0.85 SSTR5 (0.38) SSTR5HRH1LMNASMN1; SMN2TP53
SCHEMBL4594292 0.83 SSTR5 (0.39) SSTR5HRH1MAPTTSHRUSP2
SCHEMBL4594275 0.82 HTR3A (0.36) SSTR5HRH1MAPTLMNASMN1; SMN2
SCHEMBL4593884 0.82 HTR3A (0.37) SSTR5HRH1MAPTLMNASMN1; SMN2
SCHEMBL4593843 0.80 SSTR5 (0.43) SSTR5HRH1NPC1
SCHEMBL4594029 0.79 SSTR5 (0.41) SSTR5HRH1MAPTALDH1A1THRB
SCHEMBL4593393 0.79 SSTR5 (0.42) SSTR5HRH1NPC1USP2ALDH1A1
SCHEMBL4594262 0.78 IRAK4 (0.35) SSTR5MAPTLMNASMN1; SMN2TP53

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