SCHEMBL14917583

SCHEMBL14917583

COC(=O)c1cc(-c2ccc(C(=O)F)cc2)cc2c1c(C)cn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.42
EZH1 Q92800 2/20 0.37
NR4A2 P43354 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ERN1 O75460 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL14727079 0.82 EZH2 (0.40) EZH2EZH1NR4A2MAPTKMT2A
SCHEMBL2594002 0.80 ERN1 (0.43) EZH2EZH1NR4A2ALDH1A1MAPT
SCHEMBL2588982 0.79 EZH2 (0.40) EZH2EZH1NR4A2CA12CA1
SCHEMBL2587259 0.76 CA12 (0.37) EZH2ALDH1A1MAPTKDM4ECA12
SCHEMBL2587361 0.76 CA12 (0.35) EZH2NR4A2ALDH1A1MAPTKDM4E
SCHEMBL2592122 0.74 CA12 (0.36) EZH2EZH1CA12CA1CA2
SCHEMBL2592384 0.73 LMNA (0.38) EZH2EZH1ALDH1A1KDM4ECA12
SCHEMBL19621034 0.73 CA12 (0.32) EZH2ALDH1A1MAPTKDM4ECA12
SCHEMBL27979669 0.71 PDGFRB (0.33) EZH2EZH1ALDH1A1MAPTKDM4E
SCHEMBL2591207 0.68 NOTUM (0.37) NR4A2ALDH1A1MAPTKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed