SCHEMBL4594243

SCHEMBL4594243

COC(=O)c1ccc2nc(N(Cc3ccc(OC)c(OCCF)c3)C3CCNCC3)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
SSTR5 P35346 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 1/20 0.38
PDE10A Q9Y233 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4594422 0.93 REN (0.42) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4594278 0.92 MAPT (0.46) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4593748 0.90 SSTR5 (0.41) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4594274 0.89 REN (0.41) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4594636 0.84 MAPT (0.46) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4594255 0.84 SSTR5 (0.39) SSTR5NPC1RAB9AMAPTTP53
SCHEMBL4594626 0.84 SSTR5 (0.40) SSTR5NPC1RAB9AHDAC6MAPT
SCHEMBL4593368 0.83 SSTR5 (0.48) SSTR5MAPTTP53LMNA
SCHEMBL4594225 0.83 SSTR5 (0.40) RENSSTR5NPC1RAB9AHDAC6
SCHEMBL4593756 0.83 SSTR5 (0.47) SSTR5NPC1RAB9AMAPTTP53

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