SCHEMBL4594733

SCHEMBL4594733

CCOC(=O)c1cc2sc(N(Cc3cc(OCC)c(Cl)c(OCC)c3)C3CCNCC3)nc2cc1N(Cc1cc(OCC)c(Cl)c(OCC)c1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.33
TACR1 P25103 2/20 0.33
SSTR5 P35346 2/20 0.32
SSTR1 P30872 1/20 0.32
PLAT P00750 1/20 0.31
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
DYRK1A Q13627 1/20 0.30
SLC6A2 P23975 4/20 0.30
SLC6A4 P31645 4/20 0.30
SLC6A3 Q01959 3/20 0.30
KCNH2 Q12809 1/20 0.30
POLB P06746 1/20 0.30
PDE5A O76074 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
SCHEMBL4594393 0.92 SSTR5 (0.32) TP53MAPTLMNASLC2A1TACR1
SCHEMBL4594462 0.89 SSTR5 (0.34) TP53MAPTLMNASSTR5PLAT
SCHEMBL4594240 0.87 SSTR5 (0.36) MAPTLMNASSTR5SSTR1KCNH2
SCHEMBL4593662 0.86 NPC1 (0.42) TP53MAPT
SCHEMBL4594897 0.84 HTR2A (0.34) PLATNMT2NMT1SLC6A2SLC6A4
SCHEMBL4594394 0.82 SSTR1 (0.39) TP53MAPTLMNASLC2A1TACR1
SCHEMBL4594269 0.81 SSTR5 (0.43) TP53MAPTSSTR5SSTR1
SCHEMBL4593898 0.81 SSTR5 (0.45) TP53MAPTLMNASLC2A1TACR1
SCHEMBL4594195 0.78 NPC1 (0.44) TP53MAPTSSTR5
SCHEMBL4593975 0.75 PCSK9 (0.40) TP53MAPT

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-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