SCHEMBL4593978

SCHEMBL4593978

CCOc1cc(CN(c2nc3ccc(C(=O)O)cc3s2)C2CCNCC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.37
TP53 P04637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
SSTR5 P35346 4/20 0.36
ABL1 P00519 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HRH1 P35367 1/20 0.35
SSTR1 P30872 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4593554 0.94 SSTR5 (0.36) MAPTMAPK1TP53SMN1; SMN2NPC1
SCHEMBL4593975 0.92 PCSK9 (0.40) MAPTMAPK1TP53NFKB1NFKB2
SCHEMBL4594269 0.88 SSTR5 (0.43) MAPTTP53NFKB1NFKB2RELA
SCHEMBL4593609 0.88 SSTR5 (0.45) MAPTTP53NFKB1NFKB2RELA
SCHEMBL4593786 0.86 SSTR5 (0.35) MAPTMAPK1TP53NPC1RAB9A
SCHEMBL4593325 0.84 SSTR5 (0.46) SSTR5SSTR1
SCHEMBL4594462 0.83 SSTR5 (0.34) MAPTMAPK1TP53SSTR5ABL1
SCHEMBL4593898 0.82 SSTR5 (0.45) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL4594138 0.81 SSTR5 (0.44) MAPTTP53NPC1RAB9ASSTR5
SCHEMBL4593662 0.80 NPC1 (0.42) MAPTTP53NFKB1NFKB2RELA

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