SCHEMBL4594116

SCHEMBL4594116

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
REN P00797 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APEX1 P27695 1/20 0.38
SSTR5 P35346 4/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4594360 0.93 MAPT (0.41) MAPTLMNATHRBRENSMN1; SMN2
SCHEMBL4593974 0.90 LMNA (0.39) MAPTLMNATHRBRENSMN1; SMN2
SCHEMBL4593431 0.89 LMNA (0.39) MAPTLMNATHRBRENSMN1; SMN2
SCHEMBL4593471 0.89 SSTR5 (0.38) LMNASMN1; SMN2SSTR5SLC6A2SLC6A4
SCHEMBL4593932 0.87 SSTR5 (0.38) LMNASMN1; SMN2SSTR5HRH1SLC6A2
SCHEMBL4866640 0.87 MAPT (0.41) MAPTLMNATHRBRENSMN1; SMN2
SCHEMBL4594673 0.86 MAPK1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4594636 0.84 MAPT (0.46) MAPTLMNARENNPC1RAB9A
SCHEMBL5484199 0.83 REN (0.39) MAPTLMNATHRBRENSMN1; SMN2
SCHEMBL4594721 0.83 SSTR5 (0.39) MAPTLMNATHRBRENSSTR5

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