SCHEMBL4594673

SCHEMBL4594673

CCOc1cc(CN(c2nc3c(C(=O)Nc4cccnc4)cccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CASP1 P29466 1/20 0.42
POLB P06746 1/20 0.42
LRRK2 Q5S007 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
SGMS2 Q8NHU3 2/20 0.39
FGFR3 P22607 2/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 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
SCHEMBL4593861 0.90 SGMS2 (0.40) MAPK1POLBLRRK2NPC1MAPT
SCHEMBL4594360 0.86 MAPT (0.41) LMNAPOLBALDH1A1NPC1MAPT
SCHEMBL4594116 0.86 MAPT (0.41) LMNAPOLBALDH1A1NPC1MAPT
SCHEMBL4593431 0.85 LMNA (0.39) LMNAPOLBNPC1MAPTRAB9A
SCHEMBL4593974 0.85 LMNA (0.39) LMNAPOLBNPC1MAPTRAB9A
SCHEMBL4594721 0.78 SSTR5 (0.39) LMNAMAPT
SCHEMBL1121712 0.77 SSTR5 (0.63)
SCHEMBL4594200 0.77 SSTR5 (0.37) LMNAALDH1A1SMN1; SMN2
SCHEMBL5484199 0.76 REN (0.39) LMNAPOLBNPC1MAPTRAB9A
SCHEMBL5484863 0.76 SSTR5 (0.57) LMNAALDH1A1MAPTRAB9ASMN1; SMN2

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