SCHEMBL4594269

SCHEMBL4594269

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3s2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.43
SSTR1 P30872 1/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4593898 0.93 SSTR5 (0.45) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4593662 0.92 NPC1 (0.42) TP53MAPTNPC1RAB9ANFKB1
SCHEMBL4593609 0.92 SSTR5 (0.45) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4593978 0.88 MAPT (0.39) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4593325 0.87 SSTR5 (0.46) SSTR5SSTR1
SCHEMBL4594394 0.85 SSTR1 (0.39) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4594195 0.84 NPC1 (0.44) SSTR5TP53MAPTNPC1RAB9A
SCHEMBL4594675 0.82 SSTR5 (0.47) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4593554 0.82 SSTR5 (0.36) SSTR5SSTR1TP53MAPTNPC1
SCHEMBL4594161 0.81 NFKB1 (0.38) TP53MAPTNPC1RAB9AMITF

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