SCHEMBL17786363

SCHEMBL17786363

Nc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.62
BACE1 P56817 2/20 0.62
MAPT P10636 8/20 0.61
KDM4E B2RXH2 6/20 0.61
MEN1 O00255 6/20 0.61
CYP3A4 P08684 6/20 0.61
KMT2A Q03164 6/20 0.61
HSD17B10 Q99714 4/20 0.61
CYP2C9 P11712 3/20 0.61
ABCB1 P08183 2/20 0.54
TP53 P04637 6/20 0.53
CSNK2A2 P19784 3/20 0.53
CSNK2B P67870 3/20 0.53
CSNK2A1 P68400 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
MAPK1 P28482 4/20 0.50
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL17786431 0.93 ACHE (0.55) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL12933894 0.89 MAPT (0.78) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL17786512 0.86 KDM4E (0.67) ACHEMAPTKDM4EMEN1CYP3A4
SCHEMBL5130608 0.86 MAPT (0.70) ACHEMAPTKDM4EMEN1CYP3A4
SCHEMBL17786587 0.85 MAPT (0.57) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL17786640 0.85 CYP1A2 (0.60) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL7656936 0.83 MAPT (0.68) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL17786466 0.83 CSNK2A2 (0.75) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL25225095 0.81 ACHE (0.71) ACHEBACE1MAPTKDM4EMEN1
SCHEMBL17786589 0.81 MAPT (0.56) ACHEMAPTKDM4EMEN1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016083490-A1 COMPOUNDS FOR THE TREATMENT OF AMYLOID-ASSOCIATED DISEASES REMYND NV (BE) 2016-06-02 WO disclosed