SCHEMBL4593279

SCHEMBL4593279

CCOc1cc(CN(c2nc3ccc(C(=O)OC)cc3o2)C2CCNCC2)cc2c1OC(C)(C)C=C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
COXFA4 O00483 1/20 0.35
EP300 Q09472 1/20 0.35
SSTR5 P35346 3/20 0.34
LMNA P02545 1/20 0.33
CMKLR1 Q99788 1/20 0.31
HIF1A Q16665 3/20 0.31
EPAS1 Q99814 3/20 0.31
SSTR1 P30872 1/20 0.31
KCNH2 Q12809 1/20 0.31
NR1H4 Q96RI1 2/20 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
SCHEMBL4593717 0.93 SSTR5 (0.39) MAPTTP53COXFA4EP300SSTR5
SCHEMBL4593242 0.89 EP300 (0.33) EP300
SCHEMBL4593756 0.85 SSTR5 (0.47) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4594089 0.85 SSTR5 (0.39) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4593912 0.85 SSTR5 (0.41) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4594626 0.83 SSTR5 (0.40) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4594278 0.83 MAPT (0.46) MAPTTP53SSTR5LMNA
SCHEMBL4594255 0.83 SSTR5 (0.39) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4593368 0.82 SSTR5 (0.48) MAPTTP53SSTR5LMNACMKLR1
SCHEMBL4594097 0.81 SSTR5 (0.48) SSTR5SSTR1KCNH2

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