SCHEMBL18830367

SCHEMBL18830367

CC(=O)c1cc(F)cc(N(C)C2CCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.35
IDO1 P14902 4/20 0.35
GAA P10253 1/20 0.35
SLC6A9 P48067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL18830366 0.83 EZH2 (0.39) EZH2ALDH1A1MAPTNPSR1LMNA
SCHEMBL18829848 0.83 EZH2 (0.54) EZH2ALDH1A1MAPTNPSR1LMNA
SCHEMBL18829845 0.82 ALDH1A1 (0.41) EZH2ALDH1A1MAPTNPSR1IDO1
SCHEMBL13468049 0.81 EZH2 (0.39) EZH2ALDH1A1MAPTNPSR1GAA
SCHEMBL18829979 0.77 LMNA (0.47) EZH2ALDH1A1MAPTNPSR1LMNA
SCHEMBL18830419 0.76 EZH2 (0.36) EZH2ALDH1A1MAPTNPSR1
SCHEMBL18829987 0.73 EZH2 (0.57) EZH2
SCHEMBL13280323 0.72 RXRA (0.39) EZH2ALDH1A1MAPTNPSR1IDO1
SCHEMBL13280553 0.71 EZH2 (0.54) EZH2ALDH1A1MAPTNPSR1IDO1
SCHEMBL18829901 0.71 EZH2 (0.57) EZH2LMNA

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-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed