SCHEMBL4593748

SCHEMBL4593748

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALOX15 P16050 1/20 0.39
REN P00797 1/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4594225 0.93 SSTR5 (0.40) SSTR5HDAC6NPC1RAB9AALOX15
SCHEMBL4594278 0.92 MAPT (0.46) SSTR5HDAC6NPC1RAB9AREN
SCHEMBL4594243 0.90 REN (0.41) SSTR5HDAC6NPC1RAB9AREN
SCHEMBL4594247 0.89 SSTR5 (0.39) SSTR5HDAC6NPC1RAB9AALOX15
SCHEMBL4594636 0.85 MAPT (0.46) SSTR5HDAC6NPC1RAB9AREN
SCHEMBL4594626 0.84 SSTR5 (0.40) SSTR5HDAC6NPC1RAB9AMAPT
SCHEMBL4594255 0.84 SSTR5 (0.39) SSTR5NPC1RAB9AMAPTTP53
SCHEMBL4593368 0.84 SSTR5 (0.48) SSTR5MAPTTP53LMNA
SCHEMBL4594422 0.83 REN (0.42) SSTR5HDAC6NPC1RAB9AREN
SCHEMBL4594089 0.82 SSTR5 (0.39) 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