SCHEMBL4593662

SCHEMBL4593662

CCOC(=O)c1ccc2nc(N(Cc3cc(OCC)c(Cl)c(OCC)c3)C3CCNCC3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
STAT1 P42224 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
PCSK9 Q8NBP7 3/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CCR3 P51677 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 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
SCHEMBL4594195 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4594269 0.92 SSTR5 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4593975 0.88 PCSK9 (0.40) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4594246 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4594394 0.87 SSTR1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4594733 0.86 TP53 (0.34) MAPTTP53
SCHEMBL4593898 0.85 SSTR5 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4594509 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4593609 0.84 SSTR5 (0.45) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4593978 0.80 MAPT (0.39) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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