SCHEMBL4594636

SCHEMBL4594636

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
SSTR5 P35346 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.40
REN P00797 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SSTR1 P30872 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4594278 0.93 MAPT (0.46) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4594225 0.92 SSTR5 (0.40) MAPTTP53SSTR5LMNAREN
SCHEMBL4594422 0.91 REN (0.42) MAPTTP53SSTR5RENHDAC6
SCHEMBL1121565 0.91 SSTR5 (0.45) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4593649 0.91 SSTR5 (0.46) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4593723 0.90 SSTR5 (0.55) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4594277 0.89 SSTR5 (0.45) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4594604 0.89 SSTR5 (0.54) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL4594675 0.89 SSTR5 (0.47) MAPTTP53SSTR5L3MBTL1LMNA
SCHEMBL5485903 0.87 HDAC6 (0.46) MAPTTP53SSTR5L3MBTL1LMNA

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