SCHEMBL4594330

SCHEMBL4594330

CCOc1cc(CN(c2nc3cccc(NC(=O)Cc4cccnc4)c3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
PARP14 Q460N5 1/20 0.35
CDK9 P50750 1/20 0.34
CHEK1 O14757 1/20 0.34
LMNA P02545 2/20 0.34
SLC2A1 P11166 1/20 0.34
NAMPT P43490 2/20 0.33
AKT1 P31749 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SSTR5 P35346 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4594262 0.87 IRAK4 (0.35) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL5486981 0.80 SSTR5 (0.37) KDM4EMAPTALDH1A1HTTSSTR5
SCHEMBL4594833 0.79 SSTR5 (0.36) CHRNB2CHRNA7CHRNA4SSTR5
SCHEMBL4594401 0.79 GLA (0.36) SSTR5
SCHEMBL4594594 0.77 SSTR5 (0.35) SSTR5
SCHEMBL4593346 0.77 PPARG (0.35) SSTR5
SCHEMBL1121276 0.77 SSTR5 (0.59) SSTR5
SCHEMBL4594289 0.76 SSTR5 (0.39) SSTR5
SCHEMBL4593333 0.76 SLC6A2 (0.35) LMNAMAPK1SSTR5
SCHEMBL4593861 0.76 SGMS2 (0.40) MAPTMAPK1

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 5 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
EP-1263716-B1 AMINO ACID DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2008-01-02 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed